Detailed information for compound 594797
Basic information
Technical information
- TDR Targets ID: 594797
- Name: 6-chloro-N-[1-(phenylmethyl)piperidin-4-yl]-2 -pyridin-3-ylquinoline-4-carboxamide
- MW: 456.967 | Formula: C27H25ClN4O
-
H donors: 1
H acceptors: 3
LogP: 4.77
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc2c(c1)c(cc(n2)c1cccnc1)C(=O)NC1CCN(CC1)Cc1ccccc1
- InChi: 1S/C27H25ClN4O/c28-21-8-9-25-23(15-21)24(16-26(31-25)20-7-4-12-29-17-20)27(33)30-22-10-13-32(14-11-22)18-19-5-2-1-3-6-19/h1-9,12,15-17,22H,10-11,13-14,18H2,(H,30,33)
- InChiKey: UVUCEFFMTRFLDP-UHFFFAOYSA-N
Network
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Synonyms
- 6-chloro-N-[1-(phenylmethyl)-4-piperidyl]-2-(3-pyridyl)quinoline-4-carboxamide
- 6-chloro-N-[1-(phenylmethyl)-4-piperidinyl]-2-(3-pyridyl)-4-quinolinecarboxamide
- N-[1-(benzyl)-4-piperidyl]-6-chloro-2-(3-pyridyl)cinchoninamide
- 6-chloro-N-[1-(phenylmethyl)piperidin-4-yl]-2-pyridin-3-yl-quinoline-4-carboxamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Plasmodium falciparum | lysine--tRNA ligase | Starlite/ChEMBL | No references |
| Plasmodium falciparum | hexose transporter | Starlite/ChEMBL | No references |
| Plasmodium falciparum (isolate 3D7) | Proline--tRNA ligase | Starlite/ChEMBL | No references |
| Plasmodium falciparum (isolate 3D7) | Calcium-dependent protein kinase 4 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | calcium-dependent protein kinase 1 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | protein kinase 7 | Starlite/ChEMBL | No references |
| Leishmania mexicana | glucose transporter, lmgt2 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | protein kinase 6 | Starlite/ChEMBL | No references |
| Homo sapiens | solute carrier family 2 (facilitated glucose transporter), member 1 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | mitogen-activated protein kinase 2 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Giardia lamblia | Prolyl-tRNA synthetase | 0.0038 | 0.047 | 1 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.017 | 0.0408 |
| Echinococcus multilocularis | Threonyl tRNA synthetase, C | 0.0007 | 0.0011 | 0.0002 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0482 | 0.0473 |
| Chlamydia trachomatis | proline--tRNA ligase | 0.0013 | 0.0105 | 0.0858 |
| Echinococcus granulosus | lysine specific demethylase 5A | 0.0062 | 0.083 | 0.0821 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0489 | 0.1254 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.0431 | 0.8921 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 2 LysX | 0.0024 | 0.0262 | 0.3699 |
| Echinococcus multilocularis | Transcription factor, JmjC domain containing protein | 0.006 | 0.0806 | 0.0797 |
| Echinococcus granulosus | glycyl tRNA synthetase | 0.0007 | 0.0011 | 0.0002 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2A | 0.0039 | 0.0482 | 0.0903 |
| Loa Loa (eye worm) | glutaminase | 0.0268 | 0.3904 | 1 |
| Trypanosoma cruzi | hexose transporter | 0.0039 | 0.0489 | 0.8651 |
| Echinococcus granulosus | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.047 | 0.0462 |
| Mycobacterium leprae | Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) | 0.0024 | 0.0262 | 0.2301 |
| Trypanosoma brucei | sugar transporter, putative | 0.0018 | 0.017 | 0.2874 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0482 | 0.0473 |
| Plasmodium falciparum | lysine--tRNA ligase | 0.0028 | 0.0326 | 0.0399 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0047 | 0.0606 | 0.0597 |
| Echinococcus granulosus | Sugar transporter ERD6 protein | 0.0018 | 0.017 | 0.0161 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Echinococcus granulosus | peptidase Clp S14 family | 0.0053 | 0.069 | 0.0682 |
| Brugia malayi | glutaminase DH11.1 | 0.0268 | 0.3904 | 1 |
| Schistosoma mansoni | jumonji domain containing protein | 0.006 | 0.0806 | 0.0797 |
| Echinococcus multilocularis | ATP dependent Clp protease proteolytic subunit | 0.008 | 0.1103 | 0.1095 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Echinococcus granulosus | ATP dependent Clp protease proteolytic subunit | 0.008 | 0.1103 | 0.1095 |
| Toxoplasma gondii | protein kinase, putative | 0.0357 | 0.523 | 1 |
| Echinococcus multilocularis | microtubule associated protein 2 | 0.0676 | 1 | 1 |
| Plasmodium vivax | ATP-dependent Clp protease proteolytic subunit, putative | 0.008 | 0.1103 | 0.1383 |
| Plasmodium vivax | ATP-dependent Clp protease proteolytic subunit, putative | 0.0028 | 0.0318 | 0.0389 |
| Trichomonas vaginalis | myo-inositol transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Entamoeba histolytica | hypothetical protein | 0.0028 | 0.0326 | 0.6679 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.0431 | 0.8921 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.179 | 0.1782 |
| Schistosoma mansoni | mixed-lineage leukemia protein mll | 0.006 | 0.0796 | 0.0788 |
| Brugia malayi | Sugar transporter family protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus granulosus | General substrate transporter | 0.0108 | 0.1525 | 0.1517 |
| Plasmodium falciparum | protein kinase 7 | 0.0357 | 0.523 | 0.6612 |
| Echinococcus granulosus | geminin | 0.0174 | 0.2501 | 0.2494 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.017 | 0.0408 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Plasmodium falciparum | JmjC domain-containing protein, putative | 0.0016 | 0.0145 | 0.017 |
| Treponema pallidum | ATP-dependent Clp protease proteolytic subunit | 0.0028 | 0.0318 | 0.2809 |
| Toxoplasma gondii | sugar transporter ST2 | 0.0018 | 0.017 | 0.0305 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0482 | 0.0473 |
| Echinococcus granulosus | JmjC domain containing protein 4 | 0.0016 | 0.0145 | 0.0136 |
| Toxoplasma gondii | facilitative glucose transporter GT1 | 0.0126 | 0.179 | 0.3408 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.017 | 0.0161 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Echinococcus granulosus | calcium dependent protein kinase | 0.0036 | 0.0446 | 0.0438 |
| Mycobacterium ulcerans | glutaminase | 0.0268 | 0.3904 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0482 | 1 |
| Brugia malayi | jmjC domain containing protein | 0.0016 | 0.0145 | 0.0345 |
| Echinococcus multilocularis | lysine specific demethylase 5A | 0.006 | 0.0806 | 0.0797 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Toxoplasma gondii | prolyl-tRNA synthetase (ProRS) | 0.0044 | 0.0564 | 0.106 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Mycobacterium ulcerans | prolyl-tRNA synthetase | 0.0013 | 0.0105 | 0.0241 |
| Plasmodium falciparum | proline--tRNA ligase | 0.0044 | 0.0564 | 0.0701 |
| Mycobacterium tuberculosis | Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) | 0.0053 | 0.069 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0018 | 0.017 | 0.0435 |
| Echinococcus granulosus | lysine specific demethylase 6a | 0.0016 | 0.0145 | 0.0136 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.179 | 0.1782 |
| Loa Loa (eye worm) | sugar transporter | 0.0018 | 0.017 | 0.0408 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.047 | 0.118 |
| Echinococcus multilocularis | jumonji domain containing 1A | 0.0016 | 0.0145 | 0.0136 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK3 | 0.0039 | 0.0482 | 0.0903 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.017 | 0.0161 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.179 | 0.1782 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0326 | 0.0808 |
| Brugia malayi | Sugar transporter family protein | 0.0018 | 0.017 | 0.0408 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0062 | 0.083 | 0.0821 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.179 | 0.1782 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0489 | 0.1254 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0047 | 0.0606 | 0.0597 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0482 | 0.0473 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0482 | 0.0473 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0145 | 0.0345 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Trypanosoma brucei | JmjC domain, hydroxylase, putative | 0.0016 | 0.0145 | 0.2427 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Brugia malayi | jmjC domain containing protein | 0.0016 | 0.0145 | 0.0345 |
| Echinococcus multilocularis | dnaJ subfamily B | 0.0401 | 0.5888 | 0.5885 |
| Wolbachia endosymbiont of Brugia malayi | ATP-dependent Clp protease proteolytic subunit | 0.008 | 0.1103 | 1 |
| Schistosoma mansoni | nuclear transcription factor X-box binding 1 (nfx1) | 0.0018 | 0.017 | 0.0161 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0038 | 0.0471 | 0.1206 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Echinococcus multilocularis | Jumonji, AT rich interactive domain 1B | 0.0018 | 0.0169 | 0.016 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Treponema pallidum | prolyl-tRNA synthetase | 0.0013 | 0.0105 | 0.0858 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0038 | 0.0471 | 0.8313 |
| Echinococcus multilocularis | JmjC domain containing protein 4 | 0.0016 | 0.0145 | 0.0136 |
| Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0482 | 0.121 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Loa Loa (eye worm) | hypothetical protein | 0.008 | 0.1103 | 0.2805 |
| Trichomonas vaginalis | prolyl-tRNA synthetase, putative | 0.0038 | 0.047 | 0.1205 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus multilocularis | geminin | 0.0174 | 0.2501 | 0.2494 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.017 | 0.0161 |
| Mycobacterium tuberculosis | Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) | 0.0018 | 0.017 | 0.2341 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Schistosoma mansoni | hypothetical protein | 0.0174 | 0.2501 | 0.2494 |
| Plasmodium falciparum | calcium-dependent protein kinase 4 | 0.0039 | 0.0482 | 0.0597 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Toxoplasma gondii | ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein | 0.008 | 0.1103 | 0.2092 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0035 | 0.0431 | 0.0422 |
| Mycobacterium ulcerans | ATP-dependent Clp protease proteolytic subunit | 0.008 | 0.1103 | 0.2805 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0016 | 0.0145 | 0.0345 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.179 | 0.1782 |
| Treponema pallidum | ATP-dependent Clp protease proteolytic subunit | 0.008 | 0.1103 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Plasmodium vivax | calcium-dependent protein kinase, putative | 0.0039 | 0.0482 | 0.0597 |
| Trichomonas vaginalis | lysyl-tRNA synthetase, putative | 0.0028 | 0.0326 | 0.0834 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0047 | 0.0606 | 0.0597 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0038 | 0.0471 | 0.0462 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0038 | 0.0471 | 0.8313 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0018 | 0.017 | 0.0435 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Brugia malayi | lysyl-tRNA synthetase | 0.0028 | 0.0326 | 0.0808 |
| Mycobacterium ulcerans | ATP-dependent Clp protease proteolytic subunit | 0.008 | 0.1103 | 0.2805 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Mycobacterium leprae | Probable prolyl tRNA synthetase ProS | 0.0038 | 0.047 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Mycobacterium ulcerans | fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT | 0.0018 | 0.017 | 0.0408 |
| Plasmodium falciparum | calcium-dependent protein kinase 3 | 0.0039 | 0.0482 | 0.0597 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0018 | 0.017 | 0.2874 |
| Giardia lamblia | Lysyl-tRNA synthetase | 0.0028 | 0.0326 | 0.6849 |
| Echinococcus granulosus | synaptic vesicle 2 protein | 0.0018 | 0.017 | 0.0161 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Chlamydia trachomatis | ATP-dependent Clp protease proteolytic subunit | 0.008 | 0.1103 | 1 |
| Trypanosoma cruzi | glucose transporter, putative | 0.0018 | 0.017 | 0.2874 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.047 | 0.0462 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.179 | 0.1782 |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0326 | 0.0808 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.017 | 0.0161 |
| Giardia lamblia | Hexose transporter | 0.0018 | 0.017 | 0.346 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0482 | 0.0473 |
| Mycobacterium ulcerans | sugar transporter | 0.0018 | 0.017 | 0.0408 |
| Leishmania major | glucose transporter, lmgt2 | 0.0039 | 0.0489 | 0.8651 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0016 | 0.0145 | 0.0345 |
| Brugia malayi | Major Facilitator Superfamily protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus multilocularis | cpg binding protein | 0.003 | 0.0349 | 0.034 |
| Mycobacterium leprae | PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) | 0.0053 | 0.069 | 0.622 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0062 | 0.083 | 0.0821 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Trichomonas vaginalis | threonyl-tRNA synthetase, putative | 0.0007 | 0.0011 | 0.0028 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Toxoplasma gondii | sugar transporter ST1 | 0.0018 | 0.017 | 0.0305 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Echinococcus multilocularis | General substrate transporter | 0.0108 | 0.1525 | 0.1517 |
| Schistosoma mansoni | cpg binding protein | 0.003 | 0.0349 | 0.034 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0035 | 0.0431 | 0.0422 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Leishmania major | hypothetical protein, conserved | 0.0018 | 0.017 | 0.2874 |
| Plasmodium falciparum | mitogen-activated protein kinase 2 | 0.0204 | 0.2951 | 0.3724 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0564 | 1 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0047 | 0.0606 | 0.1528 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0038 | 0.0471 | 0.0881 |
| Schistosoma mansoni | cpg binding protein | 0.0028 | 0.0325 | 0.0316 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2B | 0.0039 | 0.0482 | 0.0903 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0482 | 1 |
| Schistosoma mansoni | cpg binding protein | 0.003 | 0.0349 | 0.034 |
| Schistosoma mansoni | hypothetical protein | 0.0035 | 0.0431 | 0.0422 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Leishmania major | myo-inositol/proton symporter (MIT) | 0.0018 | 0.017 | 0.2874 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Trypanosoma brucei | glucose transporter 1E | 0.0039 | 0.0489 | 0.8651 |
| Brugia malayi | F/Y-rich N-terminus family protein | 0.0009 | 0.0033 | 0.0057 |
| Echinococcus granulosus | cpg binding protein | 0.003 | 0.0349 | 0.034 |
| Trypanosoma brucei | lysyl-tRNA synthetase, putative | 0.0028 | 0.0326 | 0.5689 |
| Plasmodium falciparum | ATP-dependent Clp protease proteolytic subunit | 0.008 | 0.1103 | 0.1383 |
| Brugia malayi | Bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.047 | 0.118 |
| Mycobacterium ulcerans | sugar-transport integral membrane protein SugI | 0.0018 | 0.017 | 0.0408 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Plasmodium vivax | calcium-dependent protein kinase 1, putative | 0.0039 | 0.0482 | 0.0597 |
| Echinococcus multilocularis | synaptic vesicle 2 protein | 0.0018 | 0.017 | 0.0161 |
| Echinococcus granulosus | Transcription factor JmjC domain containing protein | 0.006 | 0.0806 | 0.0797 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0482 | 0.0473 |
| Mycobacterium leprae | ATP-dependent Clp protease proteolytic subunit 1 | 0.0028 | 0.0318 | 0.2809 |
| Mycobacterium ulcerans | integral membrane transport protein | 0.0018 | 0.017 | 0.0408 |
| Brugia malayi | major facilitator superfamily protein | 0.0018 | 0.017 | 0.0408 |
| Brugia malayi | Major Facilitator Superfamily protein | 0.0018 | 0.017 | 0.0408 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Loa Loa (eye worm) | calcium/calmodulin-dependent protein kinase ID | 0.0039 | 0.0482 | 0.121 |
| Leishmania major | hypothetical protein, conserved | 0.0016 | 0.0145 | 0.2427 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Echinococcus granulosus | histone lysine N methyltransferase MLL3 | 0.0009 | 0.0035 | 0.0026 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.017 | 0.0161 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0489 | 0.1254 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0038 | 0.0471 | 0.8313 |
| Brugia malayi | Calcium/calmodulin-dependent protein kinase type II alpha chain | 0.0039 | 0.0482 | 0.121 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Toxoplasma gondii | histone lysine methyltransferase SET1 | 0.0053 | 0.0701 | 0.1322 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Brugia malayi | bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.047 | 0.118 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus multilocularis | histone lysine N methyltransferase MLL3 | 0.0009 | 0.0035 | 0.0026 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0035 | 0.0431 | 0.0422 |
| Plasmodium falciparum | calcium-dependent protein kinase 2 | 0.0039 | 0.0482 | 0.0597 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.179 | 0.1782 |
| Trichomonas vaginalis | sugar transport protein, putative | 0.0018 | 0.017 | 0.0435 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0047 | 0.0606 | 0.1528 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0018 | 0.017 | 0.0435 |
| Plasmodium falciparum | protein kinase 6 | 0.0536 | 0.7905 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.0431 | 0.8921 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.017 | 0.0161 |
| Plasmodium vivax | calcium-dependent protein kinase 4, putative | 0.0039 | 0.0482 | 0.0597 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.179 | 0.1782 |
| Mycobacterium tuberculosis | Probable conserved integral membrane transport protein | 0.0018 | 0.017 | 0.2341 |
| Mycobacterium tuberculosis | Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) | 0.0053 | 0.069 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0401 | 0.5888 | 0.5885 |
| Brugia malayi | Inositol-1 | 0.0038 | 0.0471 | 0.1181 |
| Trichomonas vaginalis | glutaminase, putative | 0.0268 | 0.3904 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0126 | 0.179 | 0.4584 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0038 | 0.0471 | 0.976 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0489 | 0.1254 |
| Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0326 | 0.0808 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0482 | 0.0473 |
| Trypanosoma cruzi | sugar transporter, putative | 0.0018 | 0.017 | 0.2874 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0038 | 0.0471 | 0.0462 |
| Plasmodium falciparum | calcium-dependent protein kinase 1 | 0.0039 | 0.0482 | 0.0597 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0326 | 0.0317 |
| Trypanosoma brucei | myo-inositol/proton symporter (MIT) | 0.0018 | 0.017 | 0.2874 |
| Schistosoma mansoni | protein phosphatase 2C | 0.0016 | 0.0145 | 0.0136 |
| Mycobacterium leprae | Possible lysyl-tRNA synthetase 2 LysX | 0.0028 | 0.0326 | 0.2882 |
| Schistosoma mansoni | hypothetical protein | 0.0174 | 0.2501 | 0.2494 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0145 | 0.0345 |
| Echinococcus granulosus | jumonji domain containing 1A | 0.0016 | 0.0145 | 0.0136 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0489 | 0.8651 |
| Loa Loa (eye worm) | bifunctional aminoacyl-tRNA synthetase | 0.0016 | 0.0137 | 0.0324 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0038 | 0.0471 | 0.8313 |
| Toxoplasma gondii | histone lysine demethylase JMJC1/KDM5D/JARID1D | 0.0016 | 0.0145 | 0.0257 |
| Echinococcus multilocularis | lysyl tRNA synthetase | 0.0028 | 0.0326 | 0.0317 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0038 | 0.0471 | 0.4211 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.179 | 0.1782 |
| Schistosoma mansoni | glucose transporter | 0.0018 | 0.017 | 0.0161 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus multilocularis | glycyl tRNA synthetase | 0.0007 | 0.0011 | 0.0002 |
| Brugia malayi | jmjC domain containing protein | 0.0016 | 0.0145 | 0.0345 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type 1 | 0.0039 | 0.0482 | 0.0473 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0489 | 0.1254 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0489 | 0.1254 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0016 | 0.0145 | 0.0345 |
| Trypanosoma brucei | calcium/calmodulin-dependent protein kinase, putative | 0.0039 | 0.0482 | 0.8517 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.179 | 0.1782 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.017 | 0.0161 |
| Loa Loa (eye worm) | sugar transporter | 0.0126 | 0.179 | 0.4569 |
| Brugia malayi | jmjC domain containing protein | 0.0062 | 0.083 | 0.2104 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Brugia malayi | Cam kinase protein 1 | 0.0039 | 0.0482 | 0.121 |
| Echinococcus multilocularis | phd:f box containing protein | 0.0016 | 0.0145 | 0.0136 |
| Plasmodium vivax | sugar transporter, putative | 0.0018 | 0.017 | 0.0201 |
| Plasmodium vivax | mitogen-activated protein kinase 2, putative | 0.0204 | 0.2951 | 0.3724 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0047 | 0.0606 | 0.0597 |
| Chlamydia trachomatis | lysine--tRNA ligase | 0.0028 | 0.0326 | 0.2882 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.017 | 0.0161 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Plasmodium falciparum | major facilitator superfamily domain-containing protein, putative | 0.0018 | 0.017 | 0.0201 |
| Schistosoma mansoni | inositol monophosphatase | 0.0038 | 0.0471 | 0.0462 |
| Schistosoma mansoni | phd/f-box containing protein | 0.0016 | 0.0145 | 0.0136 |
| Echinococcus multilocularis | peptidase Clp (S14 family) | 0.0053 | 0.069 | 0.0682 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Leishmania major | glucose transporter/membrane transporter D2, putative | 0.0039 | 0.0489 | 0.8651 |
| Echinococcus multilocularis | solute carrier family 2, facilitated glucose | 0.0126 | 0.179 | 0.1782 |
| Chlamydia trachomatis | ATP-dependent Clp protease proteolytic subunit | 0.008 | 0.1103 | 1 |
| Plasmodium vivax | proline--tRNA ligase, putative | 0.0044 | 0.0564 | 0.0701 |
| Trypanosoma cruzi | lysyl-tRNA synthetase, putative | 0.0028 | 0.0326 | 0.5689 |
| Plasmodium vivax | CDK-related protein kinase 6, putative | 0.0536 | 0.7905 | 1 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Brugia malayi | major facilitator superfamily protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0047 | 0.0606 | 0.0597 |
| Wolbachia endosymbiont of Brugia malayi | major facilitator superfamily permease | 0.0018 | 0.017 | 0.1456 |
| Entamoeba histolytica | prolyl-tRNA synthetase, putative | 0.0038 | 0.047 | 0.9752 |
| Toxoplasma gondii | histone lysine demethylase JMJD6a | 0.0016 | 0.0145 | 0.0257 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Schistosoma mansoni | peptidase Clp (S14 family) | 0.008 | 0.1103 | 0.1095 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0482 | 0.0473 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.017 | 0.0161 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0145 | 0.0345 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0047 | 0.0606 | 0.0597 |
| Toxoplasma gondii | cell-cycle-associated protein kinase MAPK, putative | 0.0204 | 0.2951 | 0.5632 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0018 | 0.017 | 0.0435 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Echinococcus multilocularis | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.047 | 0.0462 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Leishmania major | lysyl-tRNA synthetase, putative | 0.0028 | 0.0326 | 0.5689 |
| Trypanosoma cruzi | JmjC domain, hydroxylase, putative | 0.0016 | 0.0145 | 0.2427 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Schistosoma mansoni | jumonji domain containing protein | 0.0016 | 0.0145 | 0.0136 |
| Trichomonas vaginalis | lysyl-tRNA synthetase, putative | 0.0025 | 0.0274 | 0.0701 |
| Onchocerca volvulus | 0.0028 | 0.0325 | 1 | |
| Giardia lamblia | Sugar-proton symporter | 0.0018 | 0.017 | 0.346 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0038 | 0.0471 | 0.1206 |
| Loa Loa (eye worm) | inositol-1 | 0.0038 | 0.0471 | 0.1181 |
| Loa Loa (eye worm) | CXXC zinc finger family protein | 0.0028 | 0.0325 | 0.0807 |
| Echinococcus granulosus | dnaJ subfamily B | 0.0401 | 0.5888 | 0.5885 |
| Brugia malayi | jmjC domain containing protein | 0.0016 | 0.0145 | 0.0345 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0489 | 0.1254 |
| Loa Loa (eye worm) | glutaminase 2 | 0.0268 | 0.3904 | 1 |
| Schistosoma mansoni | ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related | 0.0016 | 0.0145 | 0.0136 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Toxoplasma gondii | lysine-tRNA ligase | 0.0028 | 0.0326 | 0.0603 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus multilocularis | lysine specific demethylase 6a | 0.0016 | 0.0145 | 0.0136 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0018 | 0.017 | 0.0435 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.017 | 0.0161 |
| Loa Loa (eye worm) | histone methyltransferase | 0.0009 | 0.0035 | 0.0061 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0482 | 0.0473 |
| Plasmodium falciparum | calcium-dependent protein kinase 5 | 0.0039 | 0.0482 | 0.0597 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0021 | 0.0224 | 0.386 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Schistosoma mansoni | glutaminase | 0.0268 | 0.3904 | 0.3898 |
| Echinococcus granulosus | Jumonji AT rich interactive domain 1B | 0.0018 | 0.0169 | 0.016 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0038 | 0.0471 | 0.1206 |
| Schistosoma mansoni | microtubule-associated protein tau | 0.0676 | 1 | 1 |
| Plasmodium vivax | lysine--tRNA ligase, putative | 0.0028 | 0.0326 | 0.0399 |
| Plasmodium vivax | hexose transporter | 0.0126 | 0.179 | 0.2253 |
| Toxoplasma gondii | hypothetical protein | 0.0028 | 0.0318 | 0.0588 |
| Schistosoma mansoni | glycyl-tRNA synthetase | 0.0007 | 0.0011 | 0.0002 |
| Brugia malayi | CXXC zinc finger family protein | 0.0028 | 0.0325 | 0.0807 |
| Brugia malayi | Probable ClpP-like protease | 0.008 | 0.1103 | 0.2805 |
| Schistosoma mansoni | hypothetical protein | 0.0126 | 0.179 | 0.1782 |
| Brugia malayi | Major Facilitator Superfamily protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus granulosus | Threonyl tRNA synthetase C | 0.0007 | 0.0011 | 0.0002 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0564 | 1 |
| Plasmodium vivax | calcium-dependent protein kinase 3, putative | 0.0039 | 0.0482 | 0.0597 |
| Brugia malayi | jmjC domain containing protein | 0.006 | 0.0806 | 0.2042 |
| Leishmania major | glucose transporter, lmgt3 | 0.0039 | 0.0489 | 0.8651 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0326 | 0.0317 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.0034 | 0.0411 | 0.3668 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.047 | 0.118 |
| Toxoplasma gondii | ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein | 0.008 | 0.1103 | 0.2092 |
| Mycobacterium leprae | PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) | 0.008 | 0.1103 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0038 | 0.0471 | 0.0462 |
| Toxoplasma gondii | sugar transporter ST3 | 0.0018 | 0.017 | 0.0305 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.017 | 0.0161 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.0034 | 0.0411 | 0.5896 |
| Schistosoma mansoni | phosphatidylserine receptor | 0.0016 | 0.0145 | 0.0136 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0062 | 0.083 | 0.2104 |
| Trypanosoma brucei | glucose transporter 2A | 0.0039 | 0.0489 | 0.8651 |
| Brugia malayi | hypothetical protein | 0.0035 | 0.0431 | 0.108 |
| Leishmania major | glucose transporter, lmgt1 | 0.0039 | 0.0489 | 0.8651 |
| Loa Loa (eye worm) | hypothetical protein | 0.0031 | 0.0364 | 0.0908 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) | 0.0024 | 0.0262 | 0.3699 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0018 | 0.017 | 0.0435 |
| Echinococcus granulosus | phd:f box containing protein | 0.0016 | 0.0145 | 0.0136 |
| Trypanosoma cruzi | JmjC domain, hydroxylase, putative | 0.0016 | 0.0145 | 0.2427 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0039 | 0.0482 | 0.1235 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.017 | 0.0408 |
| Echinococcus multilocularis | Sugar transporter ERD6 protein | 0.0018 | 0.017 | 0.0161 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.047 | 0.0462 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0047 | 0.0606 | 0.0597 |
| Echinococcus multilocularis | calcium dependent protein kinase | 0.0036 | 0.0446 | 0.0438 |
| Plasmodium vivax | JmjC domain containing protein | 0.0016 | 0.0145 | 0.017 |
| Trypanosoma brucei | bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0564 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.0431 | 0.8921 |
| Plasmodium falciparum | hexose transporter | 0.0126 | 0.179 | 0.2253 |
| Echinococcus granulosus | lysyl tRNA synthetase | 0.0028 | 0.0326 | 0.0317 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.017 | 0.0161 |
| Leishmania major | protein kinase, putative | 0.0039 | 0.0482 | 0.8517 |
| Brugia malayi | Sugar transporter family protein | 0.0126 | 0.179 | 0.4569 |
| Plasmodium falciparum | ATP-dependent Clp protease proteolytic subunit | 0.0028 | 0.0318 | 0.0389 |
| Loa Loa (eye worm) | CAMK/CAMK2 protein kinase | 0.0039 | 0.0482 | 0.121 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0564 | 1 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0564 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0039 | 0.0482 | 0.0473 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0038 | 0.0471 | 0.1181 |
| Toxoplasma gondii | transporter, major facilitator family protein | 0.0018 | 0.017 | 0.0305 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 1010 nM | MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). | ChEMBL. | No reference |
| Growth Inhibition (functional) | = 12.1742 % | MMV: Measure of pLDH activity as indication of parasite viability. Gametocytogenesis of 3D7 Plasmodium falciparum strain was induced in vitro and asexual parasites were depleted with N-acetylglucosamine. Gametocytes were treated with dihydroartemisinin, epoxomicin, methylene blue, primaquine, puromycin or chloroquine in 96-well plates and the pLDH activity was evaluated using a modified Makler protocol. Mosquito infectivity was measured by the standard membrane feeding assay. | ChEMBL. | No reference |
| IC50 (functional) | = 1225 nM | MMV: IC50 determined against P. falciparum Dd2-luc strain using a Malaria Sybr Green I Fluorescence assay. Starting conditions were 1% trophozoite synchronised parasites at 2% haematocrit. Fluorescence detection completed after 48hr incubation at 37 degrees C under 1% O2, 3% CO2 and balance N2. | ChEMBL. | No reference |
| IC50 (functional) | > 12000 nM | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| IC50 (functional) | > 12000 nM | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| IC50 (functional) | > 12000 nM | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: MAP2K Protein kinase inhibition assay using recombinant PfMAP2K, protein substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 0.5 mM DTT, 1 mM MgCl2, 0.5 mg/mL BSA, and 10 ug/ml MAP2 in a buffer of 50 mM HEPES (pH 7.0). 0.5 mg/mL histone III-S served as the substrate (13); 100 uM AMP-PNP, an ATP analog, was used as a control inhibitor. Incubation time was 4 hours. | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: PK6 Protein kinase inhibition assay using recombinant PfPK6, Myelin Basic Protein (MBP) substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1.5 uM ATP, 5 mM MnCl2, and 15 ug/ml PK6 in a buffer of 100 mM Tris-HCl (pH 7.5). 50 ug/mL MBP was provided as the substrate; 10 uM staurosporine was used as a control inhibitor. Incubation time was 3 hours and 40 minutes.The catalytic activity of each kinase was considered proportional to ATP consumed, as determined from measurements of residual [ATP] with the luciferase-based reagent Kinase-Glo (Promega) following incubation. Luminescence (proportional to residual [ATP]) was measured on the plate readers FLx800 (BioTek Instruments, Winooski, VT, USA) and MicroBeta2. | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: CDPK1 Protein kinase inhibition assay using recombinant PfCDPK1, syntide 2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: PK7 Protein kinase inhibition assay using recombinant PfPK7, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 2 mM DTT, 20 mM MgCl2, 2 mM MnCl2, 0.01% BSA, and 6 ug/ml PK7, in a buffer of 20 mM Tris-HCl (pH 7.5). The enzyme itself was the only substrate present (since autophosphorylation occurs); 100 uM 1NA-PP1 was used as a control inhibitor. Incubation time was 3 hours. | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: CDPK4 Protein kinase inhibition assay using recombinant PfCDPK4, syntide2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. | ChEMBL. | No reference |
| IC50 (functional) | > 2.5 uM | MMV: ProRS recombinant Plasmodium falciparum Prolyl-tRNA-synthetase, assay with yeast tRNA, ATP, and proline and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition. | ChEMBL. | No reference |
| IC50 (functional) | > 2.5 uM | MMV: KRS recombinant Plasmodium falciparum Lysyl-tRNA-synthetase, assay with yeast tRNA, ATP, and lysine and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition. | ChEMBL. | No reference |
| IC50 (functional) | = 3.82688403129578 uM | MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (HAT in vitro). | ChEMBL. | No reference |
| IC50 (functional) | = 13.9759845733643 uM | MMV: Inhibition of Trypanosoma brucei brucei (Squib 427) (HAT in vitro). | ChEMBL. | No reference |
| IC50 (functional) | > 30 uM | MMV: Primary screening was performed with each compound at a 30 uM final concentration and in triplicate in sealed 96-well polystyrene microtiter plates. Parasite inocula (100 ul) comprising 20000 parasites/ml were added to each well and grown at 37 degrees C in a humidified atmosphere of 5% CO2 for 72 h. Positive controls consisted of metronidazole at 1 mg/ml. The growth of E. histolytica trophozoites in each well was determined microscopically by measuring the diameters of the confluent cells in drug-containing wells relative to those in the nega- tive-control wells. | ChEMBL. | No reference |
| IC50 (functional) | > 30 uM | MMV: A total of 100ul of inoculum was added to each well (parasite/cell ratio, ~10:1; final volume, 200 ul). Six hours after inoculation, nonadherent parasites were removed, and 100 ul of complete DMEM (1% penicillin-streptomycin, 3% FBS) supplemented with inhibitors at different concentrations (2-fold serial dilutions starting from 30 uM) was added to all except the negative-control wells. Positive controls, consisting of pyrimethamine (PYR) and sulfadiazine (SDZ) (20-mg/ml stocks in DMSO), were tested at a 2mg/ml final concentration. Each test was performed in triplicate. | ChEMBL. | No reference |
| IC50 (functional) | > 32 uM | MMV: Inhibition of Leishmania infantum (MHOM/MA/BE/67) in vitro. | ChEMBL. | No reference |
| IC50 | > 32 uM | MMV: Cytotoxicity against human fibroblasts (MRC-5) cells. | ChEMBL. | No reference |
| IC50 (functional) | > 32 uM | MMV: Inhibition of Trypanosoma cruzi (Tulahuen C4 LacZ) (Chagas in vitro). | ChEMBL. | No reference |
| Inhibition (functional) | = -40.68100598322635 % | MMV: Cryptosporidium parvum oocysts (Iowa Strain) were prepared for use by treatment with 10 mM HCl (37 degrees C, 10 min) followed by 2 mM sodium taurocholate in phosphate-buffered saline (PBS) with Ca2+ and Mg2+ (16 degrees C, 10 min) in order to stimulate excystation. The high-throughput screen was carried out by inoculating >90% confluent human ileocecal adenocarcinoma (HCT-8) cells (ATCC) with ~5.5 x 10^3 primed oocysts per well. Experimental compounds or DMSO (vehicle) were added three hours after infection, and cells were incubated for 48 hours. | ChEMBL. | No reference |
| Inhibition (functional) | = -40.6810059832263 % | MMV: Cryptosporidium parvum oocysts (Iowa Strain) were prepared for use by treatment with 10 mM HCl (37 degrees C, 10 min) followed by 2 mM sodium taurocholate in phosphate-buffered saline (PBS) with Ca2+ and Mg2+ (16 degrees C, 10 min) in order to stimulate excystation. The high-throughput screen was carried out by inoculating >90% confluent human ileocecal adenocarcinoma (HCT-8) cells (ATCC) with ~5.5 x 10^3 primed oocysts per well. Experimental compounds or DMSO (vehicle) were added three hours after infection, and cells were incubated for 48 hours. | ChEMBL. | No reference |
| Inhibition (functional) | = -32.6743623297115 % | MMV: P. falciparum NF54 functionally mature Stage V gametocytes were incubated for 24 hr in the presence of the test compounds. Gamete formation was then triggered by addition of 2uM xantheurenic acid and temperature decrease to ~20C. Female gamete formation was recorded 24 hr later by automated microscopy detection of surface labelling of female gametes with a Cy3-conjugated antibody reactive to Pfs25. All compounds were tested in 4 independent experiments and data presented here is the mean. | ChEMBL. | No reference |
| Inhibition (functional) | = -13.2044642496067 % | MMV: P. berghei-infected blood was withdrawn from mice by cardiac pucture before being immediately added to ookinete culture medium containing test compounds. 26 hr later, GFP-positive ookinetes were identified and counted by automated microscopy. All compounds were tested in 4 independent experiments and data presented here is the mean. | ChEMBL. | No reference |
| Inhibition (functional) | = -13.20446424960668 % | MMV: P. berghei-infected blood was withdrawn from mice by cardiac pucture before being immediately added to ookinete culture medium containing test compounds. 26 hr later, GFP-positive ookinetes were identified and counted by automated microscopy. All compounds were tested in 4 independent experiments and data presented here is the mean. | ChEMBL. | No reference |
| Inhibition (functional) | = -6.01296205513739 % | MMV: P. falciparum NF54 functionally mature Stage V gametocytes were incubated for 24 hr in the presence of the test compounds. Gamete formation was then triggered by addition of 2uM xantheurenic acid and temperature decrease to ~20C. Male gamete exflagellation was recorded and analysed by automated microscopy after 20 min. All compounds were tested in 4 independent experiments and data presented here is the mean. | ChEMBL. | No reference |
| Inhibition (functional) | = 0 % | GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. | ChEMBL. | 20485427 |
| Inhibition (functional) | = 1 % | GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM | ChEMBL. | 20485427 |
| Inhibition (functional) | = 6.45 % | ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| Inhibition (functional) | = 8.35 % | ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| Inhibition (functional) | = 8.75 % | ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| Inhibition (functional) | = 14.3 % | MMV: Screen against Mtb, single point, replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 18 % | MMV: Malaria Box compounds were tested for inhibition of the human ether a go-go related gene (hERG), Kv11.1 channel, using IonWorks 384-well patch clamp electrophysiology at 1.1uM (3 independent assay plates up to 12 cells per concentration). | ChEMBL. | No reference |
| Inhibition (functional) | = 18 % | MMV: Screen against Mtb, single point, non replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 26 % | GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM | ChEMBL. | 20485427 |
| Inhibition (functional) | = 86 % | MMV: Malaria Box compounds were tested for inhibition of the human ether a go-go related gene (hERG), Kv11.1 channel, using IonWorks 384-well patch clamp electrophysiology at 11.1uM (3 independent assay plates up to 12 cells per concentration). | ChEMBL. | No reference |
| Inhibition (functional) | = 91 % | MMV: Inhibition of Plasmodium falciparum 3D7 at 5uM compound concentration. | ChEMBL. | No reference |
| Inhibition (functional) | = 97 % | GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM | ChEMBL. | 20485427 |
| Inhibition frequency index (IFI) (functional) | = 0 | Inhibition Frequency Index (IFI) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = -3 % | Percent inhibition of HepG2 growth (at 10 uM) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 1 % | Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 26 % | Percent inhibition of P. falciparum Dd2 growth (at 2 uM) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 97 % | Percent inhibition of P. falciparum 3D7 growth (at 2 uM) | GSK. | 20485427 |
| Ratio (functional) | = 0.718367346938775 | MMV: Compounds (1uM) were screened in a 72hr growth assay monitored by flow cytometry both in the presence and absence of supplemental isopentenyl pyrophosphate (IPP) 200uM. Compounds which fail to show anti-malarial activity when chemically rescued by IPP are therefore specific to the apicoplast. The values are expressed as the ratio of the corresponding activity with and without IPP, respectively. | ChEMBL. | No reference |
| Relative Growth (functional) | = -0.0203 | MMV: Growth assays were conducted using the prototrophic S. cerevisiae strain JHY222. Each MMV compound (0.1 mM) was tested in rich media containing dextrose as a carbon source (Yeast Extract, Peptone, Dextrose; YPD). The growth rate in the presence of each MMV compound was calculated as follows: (i) the first 10 OD readings were averaged and subtracted from all OD readings of the corresponding curve to set the baseline of the growth curve to zero, and (ii) the area under the curve (AUC) was then calculated as the sum of all OD readings. AUC was calculated following 80 OD readings corresponding to roughly 20 h of growth. A relative growth value was calculated as follows: AUC(DRUG) - AUC(DMSO)/AUC(DMSO); where AUC(DMSO) represents growth measured in a DMSO control well that was on the same microtiter plate of the drug-treated culture. A relative growth value near zero means the compound had little or no effect on growth, whereas a value near -1 means the compound strongly or completely inhibited growth. | ChEMBL. | No reference |
| Relative Growth (functional) | = 0.017 | MMV: Growth assays were conducted using the prototrophic S. cerevisiae strain JHY222. Each MMV compound (0.1 mM) was tested in minimal media containing ethanol and glycerol as carbon sources (Yeast Nitrogen Base, Ethanol, Glycerol; YNBEG). The growth rate in the presence of each MMV compound was calculated as follows: (i) the first 10 OD readings were averaged and subtracted from all OD readings of the corresponding curve to set the baseline of the growth curve to zero, and (ii) the area under the curve (AUC) was then calculated as the sum of all OD readings. AUC was calculated following 180 OD readings, corresponding to roughly 45 h of growth. A relative growth value was calculated as follows: AUC(DRUG) - AUC(DMSO)/AUC(DMSO); where AUC(DMSO) represents growth measured in a DMSO control well that was on the same microtiter plate of the drug-treated culture. A relative growth value near zero means the compound had little or no effect on growth, whereas a value near -1 means the compound strongly or completely inhibited growth. | ChEMBL. | No reference |
| Relative Growth (functional) | = 0.0617 | MMV: Growth assays were conducted using the prototrophic S. cerevisiae strain JHY222. Each MMV compound (0.1 mM) was tested in minimal media containing dextrose as a carbon source (Yeast Nitrogen Base, Dextrose; YNBD). The growth rate in the presence of each MMV compound was calculated as follows: (i) the first 10 OD readings were averaged and subtracted from all OD readings of the corresponding curve to set the baseline of the growth curve to zero, and (ii) the area under the curve (AUC) was then calculated as the sum of all OD readings. AUC was calculated following 80 OD readings, corresponding to roughly 20 h of growth. A relative growth value was calculated as follows: AUC(DRUG) - AUC(DMSO)/AUC(DMSO); where AUC(DMSO) represents growth measured in a DMSO control well that was on the same microtiter plate of the drug-treated culture. A relative growth value near zero means the compound had little or no effect on growth, whereas a value near -1 means the compound strongly or completely inhibited growth. | ChEMBL. | No reference |
| Toxicity (functional) | = 0 | MMV: Toxicity @ 2.5 uM to newly transformed Schistosoma mansoni somules after 48 h on a scale of 0 (none) - 4 (most) as judged visually: includes short descriptors of effects (PMID:19597541). Caffrey group UCSF. | ChEMBL. | No reference |
| Toxicity (functional) | = 0 | MMV: Toxicity @ 2.5 uM to newly transformed Schistosoma mansoni somules after 72 h on a scale of 0 (none) - 4 (most) as judged visually: includes short descriptors of effects (PMID:19597541). Caffrey group UCSF. | ChEMBL. | No reference |
| Toxicity (functional) | = 0 | MMV: Toxicity @ 2.5 uM to newly transformed Schistosoma mansoni somules after 24 h on a scale of 0 (none) - 4 (most) as judged visually: includes short descriptors of effects (PMID:19597541). Caffrey group UCSF. | ChEMBL. | No reference |
| XC50 (functional) | = 6.12 | XC50 determination of P. falciparum 3D7 growth | GSK. | 20485427 |
| XC50 (functional) | = 0.75949 uM | GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. | ChEMBL. | 20485427 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Trypanosoma brucei gambiense | |||
| Plasmodium falciparum | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL581187
- Search by GSK
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.