Detailed information for compound 595058
Basic information
Technical information
- Name: Unnamed compound
- MW: 438.895 | Formula: C22H25ClF2N2O3
-
H donors: 1
H acceptors: 1
LogP: 3.94
Rotable bonds: 9
Rule of 5 violations (Lipinski): 1 - SMILES: COCCNC(=O)c1ccc(c(c1)Cl)OC1CCN(CC1)Cc1ccc(c(c1)F)F
- InChi: 1S/C22H25ClF2N2O3/c1-29-11-8-26-22(28)16-3-5-21(18(23)13-16)30-17-6-9-27(10-7-17)14-15-2-4-19(24)20(25)12-15/h2-5,12-13,17H,6-11,14H2,1H3,(H,26,28)
- InChiKey: NDVQELHLBFVILT-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| 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 |
| Plasmodium falciparum | protein kinase 6 | Starlite/ChEMBL | No references |
| Leishmania mexicana | glucose transporter, lmgt2 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | protein kinase 7 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | calcium-dependent protein kinase 1 | 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 | hexose transporter | Starlite/ChEMBL | No references |
| Plasmodium falciparum | lysine--tRNA ligase | 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 |
|---|---|---|---|---|
| Leishmania major | acetyl-CoA synthetase, putative | 0.0022 | 0.0183 | 0.1522 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0048 | 0.0677 | 0.2898 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0508 | 0.1973 |
| Entamoeba histolytica | acyl-CoA synthetase, putative | 0.0075 | 0.12 | 1 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0499 | 0.1393 |
| Brugia malayi | beta-lactamase family protein | 0.0037 | 0.0463 | 0.1981 |
| Onchocerca volvulus | 0.0037 | 0.0463 | 0.3306 | |
| Brugia malayi | bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.0484 | 0.2068 |
| Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.12 | 0.5134 |
| Mycobacterium leprae | Probable prolyl tRNA synthetase ProS | 0.0038 | 0.0484 | 0.2957 |
| Mycobacterium leprae | PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) | 0.0075 | 0.12 | 1 |
| Leishmania major | acetyl-CoA synthetase, putative | 0.0022 | 0.0183 | 0.1522 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0037 | 0.0463 | 0.1756 |
| Trypanosoma cruzi | acetyl-CoA synthetase, putative | 0.0022 | 0.0183 | 0.3027 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Mycobacterium ulcerans | long-chain-fatty-acid-CoA ligase | 0.0075 | 0.12 | 1 |
| Leishmania major | glucose transporter, lmgt3 | 0.0039 | 0.0508 | 0.4232 |
| Onchocerca volvulus | 0.0037 | 0.0463 | 0.3306 | |
| Plasmodium vivax | calcium-dependent protein kinase 4, putative | 0.0039 | 0.0499 | 0.0404 |
| Mycobacterium tuberculosis | Conserved protein | 0.0037 | 0.0463 | 0.0876 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Chlamydia trachomatis | lysine--tRNA ligase | 0.0028 | 0.0298 | 0.3447 |
| Trypanosoma cruzi | sugar transporter, putative | 0.0018 | 0.0099 | 0.164 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.0099 | 0.0101 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Entamoeba histolytica | hypothetical protein | 0.0028 | 0.0298 | 0.1136 |
| Mycobacterium ulcerans | non-ribosomal peptide synthetase MbtF | 0.0022 | 0.0183 | 0.1522 |
| Echinococcus multilocularis | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.0484 | 0.1345 |
| Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0053 | 0.0777 | 0.1633 |
| Mycobacterium tuberculosis | Probable lipase LipE | 0.0037 | 0.0463 | 0.0876 |
| Mycobacterium ulcerans | integral membrane transport protein | 0.0018 | 0.0099 | 0.0825 |
| Onchocerca volvulus | 0.0037 | 0.0463 | 0.3306 | |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0048 | 0.0677 | 0.1972 |
| Mycobacterium tuberculosis | Probable conserved lipoprotein | 0.0037 | 0.0463 | 0.0876 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.2172 | 0.6807 |
| Onchocerca volvulus | 0.0022 | 0.0183 | 0.076 | |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.2172 | 0.6807 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0048 | 0.0677 | 0.1972 |
| Echinococcus granulosus | beta LACTamase domain containing family member | 0.0037 | 0.0463 | 0.1278 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0048 | 0.0677 | 0.2898 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0048 | 0.0677 | 0.1972 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0039 | 0.0499 | 0.1927 |
| Entamoeba histolytica | prolyl-tRNA synthetase, putative | 0.0038 | 0.0484 | 0.2957 |
| Leishmania major | long-chain-fatty-acid-CoA ligase, putative | 0.0022 | 0.0183 | 0.1522 |
| Loa Loa (eye worm) | oxidoreductase | 0.0022 | 0.0183 | 0.0781 |
| Schistosoma mansoni | acetyl-CoA synthetase | 0.0022 | 0.0183 | 0.0371 |
| Loa Loa (eye worm) | hypothetical protein | 0.0056 | 0.0836 | 0.3577 |
| Plasmodium vivax | calcium-dependent protein kinase, putative | 0.0039 | 0.0499 | 0.0404 |
| Echinococcus multilocularis | lysyl tRNA synthetase | 0.0028 | 0.0298 | 0.0745 |
| Mycobacterium ulcerans | sugar transporter | 0.0018 | 0.0099 | 0.0825 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0075 | 0.12 | 1 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0048 | 0.0677 | 0.1972 |
| Mycobacterium tuberculosis | Probable peptide synthetase Nrp (peptide synthase) | 0.0022 | 0.0183 | 0.0202 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.0099 | 0.0423 |
| Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0053 | 0.0777 | 0.1633 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0135 | 0.2338 | 0.7342 |
| Trichomonas vaginalis | antibiotic synthetase, putative | 0.0022 | 0.0183 | 0.0404 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0037 | 0.0463 | 0.1756 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0021 | 0.0169 | 0.2796 |
| Echinococcus granulosus | lysyl tRNA synthetase | 0.0028 | 0.0298 | 0.0745 |
| Loa Loa (eye worm) | sugar transporter | 0.0018 | 0.0099 | 0.0423 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.0463 | 0.7673 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.0099 | 0.0101 |
| Schistosoma mansoni | hypothetical protein | 0.0035 | 0.0425 | 0.1157 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0463 | 0.1981 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0022 | 0.0183 | 0.0781 |
| Plasmodium falciparum | calcium-dependent protein kinase 1 | 0.0039 | 0.0499 | 0.0404 |
| Plasmodium falciparum | calcium-dependent protein kinase 3 | 0.0039 | 0.0499 | 0.0404 |
| Toxoplasma gondii | cell-cycle-associated protein kinase MAPK, putative | 0.0204 | 0.3658 | 0.5495 |
| Toxoplasma gondii | ABC1 family protein | 0.0037 | 0.0463 | 0.0562 |
| Brugia malayi | Sugar transporter family protein | 0.0018 | 0.0099 | 0.0423 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Echinococcus granulosus | geminin | 0.0178 | 0.3159 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0298 | 0.1276 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0463 | 0.1981 |
| Brugia malayi | Major Facilitator Superfamily protein | 0.0018 | 0.0099 | 0.0423 |
| Toxoplasma gondii | lysine-tRNA ligase | 0.0028 | 0.0298 | 0.0308 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0508 | 0.1973 |
| Leishmania major | lysyl-tRNA synthetase, putative | 0.0028 | 0.0298 | 0.2485 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0135 | 0.2338 | 1 |
| Mycobacterium leprae | Possible lysyl-tRNA synthetase 2 LysX | 0.0028 | 0.0298 | 0.1136 |
| Trypanosoma cruzi | long-chain-fatty-acid-CoA ligase, putative | 0.0022 | 0.0183 | 0.3027 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.0484 | 0.1345 |
| Plasmodium vivax | CDK-related protein kinase 6, putative | 0.0536 | 1 | 1 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.2172 | 0.6807 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0463 | 0.1981 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.0463 | 0.7673 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0463 | 0.1981 |
| Mycobacterium leprae | PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) | 0.0075 | 0.12 | 1 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.2172 | 0.6807 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2A | 0.0039 | 0.0499 | 0.0617 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Brugia malayi | Bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.0484 | 0.2068 |
| Loa Loa (eye worm) | beta-LACTamase domain containing family member | 0.0037 | 0.0463 | 0.1981 |
| Plasmodium falciparum | hexose transporter | 0.0126 | 0.2172 | 0.2094 |
| Onchocerca volvulus | 0.0022 | 0.0183 | 0.076 | |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0048 | 0.0677 | 0.1972 |
| Schistosoma mansoni | nuclear transcription factor X-box binding 1 (nfx1) | 0.0018 | 0.0099 | 0.0101 |
| Loa Loa (eye worm) | calcium/calmodulin-dependent protein kinase ID | 0.0039 | 0.0499 | 0.2132 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0499 | 0.1393 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.0099 | 0.0101 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0499 | 0.1393 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.2172 | 0.6807 |
| Echinococcus multilocularis | acetyl coenzyme A synthetase, cytoplasmic | 0.0022 | 0.0183 | 0.0371 |
| Toxoplasma gondii | facilitative glucose transporter GT1 | 0.0126 | 0.2172 | 0.3201 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0075 | 0.12 | 0.5134 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Mycobacterium tuberculosis | Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0022 | 0.0183 | 0.0202 |
| Brugia malayi | major facilitator superfamily protein | 0.0018 | 0.0099 | 0.0423 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0135 | 0.2338 | 0.7342 |
| Loa Loa (eye worm) | hypothetical protein | 0.0056 | 0.0836 | 0.3577 |
| Mycobacterium ulcerans | fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE | 0.0037 | 0.0463 | 0.3858 |
| Onchocerca volvulus | 0.0022 | 0.0183 | 0.076 | |
| Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0022 | 0.0183 | 0.0202 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.0099 | 0.0101 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0484 | 0.2068 |
| Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0016 | 0.0068 | 0.029 |
| Loa Loa (eye worm) | hypothetical protein | 0.0056 | 0.0836 | 0.3577 |
| Mycobacterium ulcerans | acetyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Mycobacterium ulcerans | hypothetical protein | 0.0075 | 0.12 | 1 |
| Plasmodium vivax | hexose transporter | 0.0126 | 0.2172 | 0.2094 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0051 | 0.0734 | 0.3138 |
| Loa Loa (eye worm) | beta-lactamase | 0.0037 | 0.0463 | 0.1981 |
| Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0235 | 0.4253 | 1 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.0099 | 0.0101 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.0099 | 0.0101 |
| Trichomonas vaginalis | antibiotic synthetase, putative | 0.0022 | 0.0183 | 0.0404 |
| Loa Loa (eye worm) | hypothetical protein | 0.0056 | 0.0836 | 0.3577 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.0099 | 0.0423 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Giardia lamblia | Prolyl-tRNA synthetase | 0.0038 | 0.0484 | 1 |
| Mycobacterium ulcerans | prolyl-tRNA synthetase | 0.0013 | 0.0015 | 0.0128 |
| Mycobacterium tuberculosis | Probable lipase LipD | 0.0037 | 0.0463 | 0.0876 |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0298 | 0.2485 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0499 | 0.1393 |
| Brugia malayi | Sugar transporter family protein | 0.0126 | 0.2172 | 0.9293 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0051 | 0.0734 | 0.3138 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.0099 | 0.0101 |
| Toxoplasma gondii | protein kinase, putative | 0.0357 | 0.6577 | 1 |
| Brugia malayi | Major Facilitator Superfamily protein | 0.0018 | 0.0099 | 0.0423 |
| Echinococcus multilocularis | beta LACTamase domain containing family member | 0.0037 | 0.0463 | 0.1278 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0048 | 0.0677 | 0.1972 |
| Mycobacterium tuberculosis | Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) | 0.0022 | 0.0183 | 0.0202 |
| Plasmodium vivax | acyl-CoA synthetase, putative | 0.0056 | 0.0836 | 0.0744 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.2172 | 0.6807 |
| Plasmodium falciparum | mitogen-activated protein kinase 2 | 0.0204 | 0.3658 | 0.3595 |
| Echinococcus multilocularis | geminin | 0.0178 | 0.3159 | 1 |
| Trichomonas vaginalis | penicillin-binding protein, putative | 0.0037 | 0.0463 | 0.1756 |
| Schistosoma mansoni | hypothetical protein | 0.0126 | 0.2172 | 0.6807 |
| Leishmania major | glucose transporter, lmgt2 | 0.0039 | 0.0508 | 0.4232 |
| Loa Loa (eye worm) | CAMK/CAMK2 protein kinase | 0.0039 | 0.0499 | 0.2132 |
| Leishmania major | myo-inositol/proton symporter (MIT) | 0.0018 | 0.0099 | 0.0825 |
| Mycobacterium leprae | Probable lipase LipE | 0.0037 | 0.0463 | 0.2755 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0499 | 0.1393 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0022 | 0.0183 | 0.0781 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0499 | 0.1393 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0499 | 0.3104 |
| Mycobacterium ulcerans | hypothetical protein | 0.0037 | 0.0463 | 0.3858 |
| Plasmodium falciparum | acetyl-CoA synthetase, putative | 0.0022 | 0.0183 | 0.0085 |
| Echinococcus granulosus | synaptic vesicle 2 protein | 0.0018 | 0.0099 | 0.0101 |
| Brugia malayi | beta-lactamase family protein | 0.0037 | 0.0463 | 0.1981 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0135 | 0.2338 | 0.7342 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0499 | 0.1393 |
| Trypanosoma cruzi | glucose transporter, putative | 0.0018 | 0.0099 | 0.164 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0022 | 0.0183 | 0.0781 |
| Loa Loa (eye worm) | RNA binding protein | 0.0135 | 0.2338 | 1 |
| Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0053 | 0.0777 | 0.1633 |
| Loa Loa (eye worm) | hypothetical protein | 0.0051 | 0.0734 | 0.3138 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0298 | 0.0745 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK3 | 0.0039 | 0.0499 | 0.0617 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Echinococcus multilocularis | calcium dependent protein kinase | 0.0036 | 0.0453 | 0.1245 |
| Leishmania major | protein kinase, putative | 0.0039 | 0.0499 | 0.4153 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0463 | 0.1981 |
| Mycobacterium tuberculosis | Probable esterase LipL | 0.0037 | 0.0463 | 0.0876 |
| Toxoplasma gondii | Acetyl-coenzyme A synthetase 2, putative | 0.0022 | 0.0183 | 0.0129 |
| Trypanosoma brucei | bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0603 | 1 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0022 | 0.0183 | 0.0781 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0603 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0037 | 0.0463 | 0.3858 |
| Mycobacterium ulcerans | beta-lactamase | 0.0037 | 0.0463 | 0.3858 |
| Echinococcus granulosus | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.0484 | 0.1345 |
| Echinococcus granulosus | General substrate transporter | 0.0108 | 0.1833 | 0.571 |
| Mycobacterium leprae | Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) | 0.0024 | 0.0217 | 0.0338 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Mycobacterium tuberculosis | PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) | 0.0019 | 0.0124 | 0.006 |
| Leishmania major | glucose transporter/membrane transporter D2, putative | 0.0039 | 0.0508 | 0.4232 |
| Trypanosoma brucei | long-chain-fatty-acid-CoA ligase, putative | 0.0022 | 0.0183 | 0.3027 |
| Leishmania major | 4-coumarate:coa ligase-like protein | 0.0075 | 0.12 | 1 |
| Trypanosoma brucei | glucose transporter 1E | 0.0039 | 0.0508 | 0.8417 |
| Brugia malayi | beta-lactamase | 0.0037 | 0.0463 | 0.1981 |
| Plasmodium falciparum | lysine--tRNA ligase | 0.0028 | 0.0298 | 0.0201 |
| Loa Loa (eye worm) | AMP-binding enzyme family protein | 0.0022 | 0.0183 | 0.0781 |
| Toxoplasma gondii | AMP-binding enzyme domain-containing protein | 0.0022 | 0.0183 | 0.0129 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0039 | 0.0499 | 0.1393 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0499 | 0.3104 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.0099 | 0.0101 |
| Leishmania major | hypothetical protein, conserved | 0.0018 | 0.0099 | 0.0825 |
| Treponema pallidum | prolyl-tRNA synthetase | 0.0013 | 0.0015 | 0.5 |
| Onchocerca volvulus | 0.0022 | 0.0183 | 0.076 | |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0508 | 0.1973 |
| Plasmodium falciparum | proline--tRNA ligase | 0.0044 | 0.0603 | 0.051 |
| Mycobacterium tuberculosis | Conserved protein | 0.0037 | 0.0463 | 0.0876 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Trypanosoma brucei | calcium/calmodulin-dependent protein kinase, putative | 0.0039 | 0.0499 | 0.826 |
| Loa Loa (eye worm) | AMP-binding enzyme family protein | 0.0022 | 0.0183 | 0.0781 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0508 | 0.1973 |
| Mycobacterium ulcerans | long-chain fatty-acid CoA ligase | 0.0075 | 0.12 | 1 |
| Trichomonas vaginalis | penicillin-binding protein, putative | 0.0037 | 0.0463 | 0.1756 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0075 | 0.12 | 0.5134 |
| Brugia malayi | Sugar transporter family protein | 0.0018 | 0.0099 | 0.0423 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0135 | 0.2338 | 1 |
| Echinococcus multilocularis | General substrate transporter | 0.0108 | 0.1833 | 0.571 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0499 | 0.1393 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0499 | 0.1393 |
| Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0053 | 0.0777 | 0.1633 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0035 | 0.0425 | 0.182 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.0099 | 0.0101 |
| Plasmodium vivax | calcium-dependent protein kinase 1, putative | 0.0039 | 0.0499 | 0.0404 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2B | 0.0039 | 0.0499 | 0.0617 |
| Mycobacterium ulcerans | peptide synthetase Nrp (peptide synthase) | 0.0022 | 0.0183 | 0.1522 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0037 | 0.0463 | 0.2755 |
| Mycobacterium ulcerans | long-chain-fatty-acid--CoA ligase | 0.0075 | 0.12 | 1 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 2 LysX | 0.0024 | 0.0217 | 0.0284 |
| Mycobacterium ulcerans | O-succinylbenzoic acid--CoA ligase | 0.0022 | 0.0183 | 0.1522 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0484 | 0.2068 |
| Trichomonas vaginalis | lysyl-tRNA synthetase, putative | 0.0025 | 0.0232 | 0.0641 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0499 | 0.1393 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0037 | 0.0463 | 0.0368 |
| Toxoplasma gondii | propionate-CoA ligase | 0.0022 | 0.0183 | 0.0129 |
| Mycobacterium tuberculosis | Peptide synthetase MbtF (peptide synthase) | 0.0022 | 0.0183 | 0.0202 |
| Mycobacterium tuberculosis | Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase | 0.0022 | 0.0183 | 0.0202 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.0484 | 0.1345 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0298 | 0.0745 |
| Mycobacterium ulcerans | fatty-acid-CoA ligase | 0.0075 | 0.12 | 1 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.2172 | 0.6807 |
| Mycobacterium ulcerans | lipase LipD | 0.0037 | 0.0463 | 0.3858 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Echinococcus granulosus | Sugar transporter ERD6 protein | 0.0018 | 0.0099 | 0.0101 |
| Trypanosoma cruzi | acetyl-CoA synthetase, putative | 0.0022 | 0.0183 | 0.3027 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0508 | 0.1973 |
| Mycobacterium ulcerans | non-ribosomal peptide synthetase MbtE | 0.0022 | 0.0183 | 0.1522 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type 1 | 0.0039 | 0.0499 | 0.1393 |
| Echinococcus granulosus | acetyl coenzyme A synthetase cytoplasmic | 0.0022 | 0.0183 | 0.0371 |
| Echinococcus multilocularis | Sugar transporter ERD6 protein | 0.0018 | 0.0099 | 0.0101 |
| Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0037 | 0.0463 | 0.1278 |
| Loa Loa (eye worm) | hypothetical protein | 0.0056 | 0.0836 | 0.3577 |
| Onchocerca volvulus | 0.0075 | 0.12 | 1 | |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Mycobacterium tuberculosis | Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) | 0.0022 | 0.0183 | 0.0202 |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0298 | 0.2485 |
| Plasmodium falciparum | calcium-dependent protein kinase 2 | 0.0039 | 0.0499 | 0.0404 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0126 | 0.2172 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.0463 | 0.1981 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0037 | 0.0463 | 0.7673 |
| Schistosoma mansoni | glucose transporter | 0.0018 | 0.0099 | 0.0101 |
| Trichomonas vaginalis | lysyl-tRNA synthetase, putative | 0.0028 | 0.0298 | 0.0961 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0048 | 0.0677 | 0.1972 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0051 | 0.0734 | 0.3138 |
| Brugia malayi | Latrophilin receptor protein 2 | 0.0016 | 0.0068 | 0.029 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0018 | 0.0099 | 0.164 |
| Chlamydia trachomatis | acylglycerophosphoethanolamine acyltransferase | 0.0056 | 0.0836 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0135 | 0.2338 | 0.7342 |
| Brugia malayi | lysyl-tRNA synthetase | 0.0028 | 0.0298 | 0.1276 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0037 | 0.0463 | 0.1756 |
| Plasmodium falciparum | calcium-dependent protein kinase 5 | 0.0039 | 0.0499 | 0.0404 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Mycobacterium tuberculosis | Peptide synthetase MbtE (peptide synthase) | 0.0022 | 0.0183 | 0.0202 |
| Loa Loa (eye worm) | sugar transporter | 0.0126 | 0.2172 | 0.9293 |
| Mycobacterium ulcerans | esterase/lipase LipP | 0.0037 | 0.0463 | 0.3858 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.0099 | 0.0101 |
| Brugia malayi | acetyl-Coenzyme A synthetase 2 | 0.0022 | 0.0183 | 0.0781 |
| Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0075 | 0.12 | 0.2651 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.2172 | 0.6807 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0603 | 1 |
| Mycobacterium ulcerans | fatty-acid-CoA ligase | 0.0056 | 0.0836 | 0.6966 |
| Toxoplasma gondii | prolyl-tRNA synthetase (ProRS) | 0.0044 | 0.0603 | 0.0779 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0016 | 0.0068 | 0.029 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0603 | 0.5028 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Mycobacterium ulcerans | long-chain-acyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0603 | 0.5028 |
| Mycobacterium ulcerans | fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT | 0.0018 | 0.0099 | 0.0825 |
| Plasmodium vivax | mitogen-activated protein kinase 2, putative | 0.0204 | 0.3658 | 0.3595 |
| Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.12 | 0.5134 |
| Mycobacterium tuberculosis | Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0022 | 0.0183 | 0.0202 |
| Plasmodium vivax | lysine--tRNA ligase, putative | 0.0028 | 0.0298 | 0.0201 |
| Trichomonas vaginalis | prolyl-tRNA synthetase, putative | 0.0038 | 0.0484 | 0.1855 |
| Giardia lamblia | Lysyl-tRNA synthetase | 0.0028 | 0.0298 | 0.5182 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0022 | 0.0183 | 0.1522 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0068 | 0.029 |
| Wolbachia endosymbiont of Brugia malayi | major facilitator superfamily permease | 0.0018 | 0.0099 | 0.5 |
| Trypanosoma brucei | sugar transporter, putative | 0.0018 | 0.0099 | 0.164 |
| Mycobacterium tuberculosis | Probable esterase/lipase LipP | 0.0037 | 0.0463 | 0.0876 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0508 | 0.1973 |
| Plasmodium vivax | calcium-dependent protein kinase 3, putative | 0.0039 | 0.0499 | 0.0404 |
| Leishmania major | glucose transporter, lmgt1 | 0.0039 | 0.0508 | 0.4232 |
| Loa Loa (eye worm) | hypothetical protein | 0.0075 | 0.12 | 0.5134 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0508 | 0.1973 |
| Loa Loa (eye worm) | hypothetical protein | 0.0022 | 0.0183 | 0.0781 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0022 | 0.0183 | 0.0781 |
| Mycobacterium tuberculosis | Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0022 | 0.0183 | 0.0202 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0135 | 0.2338 | 1 |
| Trypanosoma brucei | acetyl-CoA synthetase, putative | 0.0022 | 0.0183 | 0.3027 |
| Echinococcus multilocularis | synaptic vesicle 2 protein | 0.0018 | 0.0099 | 0.0101 |
| Brugia malayi | RNA binding protein | 0.0135 | 0.2338 | 1 |
| Brugia malayi | Cam kinase protein 1 | 0.0039 | 0.0499 | 0.2132 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) | 0.0024 | 0.0217 | 0.0284 |
| Plasmodium vivax | proline--tRNA ligase, putative | 0.0044 | 0.0603 | 0.051 |
| Loa Loa (eye worm) | bifunctional aminoacyl-tRNA synthetase | 0.0016 | 0.0057 | 0.0243 |
| Leishmania major | 4-coumarate:coa ligase-like protein | 0.0075 | 0.12 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0499 | 0.2132 |
| Loa Loa (eye worm) | hypothetical protein | 0.0031 | 0.0348 | 0.1488 |
| Mycobacterium tuberculosis | Probable hydrolase | 0.0037 | 0.0463 | 0.0876 |
| Entamoeba histolytica | acyl-CoA synthetase, putative | 0.0075 | 0.12 | 1 |
| Trypanosoma cruzi | hexose transporter | 0.0039 | 0.0508 | 0.8417 |
| Echinococcus granulosus | tar DNA binding protein | 0.0135 | 0.2338 | 0.7342 |
| Trypanosoma brucei | glucose transporter 2A | 0.0039 | 0.0508 | 0.8417 |
| Brugia malayi | Calcium/calmodulin-dependent protein kinase type II alpha chain | 0.0039 | 0.0499 | 0.2132 |
| Trypanosoma brucei | lysyl-tRNA synthetase, putative | 0.0028 | 0.0298 | 0.4942 |
| Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0425 | 0.182 |
| Trichomonas vaginalis | esterase, putative | 0.0037 | 0.0463 | 0.1756 |
| Plasmodium falciparum | calcium-dependent protein kinase 4 | 0.0039 | 0.0499 | 0.0404 |
| Trypanosoma cruzi | long-chain-fatty-acid-CoA ligase, putative | 0.0022 | 0.0183 | 0.3027 |
| Plasmodium falciparum | acyl-CoA synthetase | 0.0056 | 0.0836 | 0.0744 |
| Trypanosoma brucei | myo-inositol/proton symporter (MIT) | 0.0018 | 0.0099 | 0.164 |
| Mycobacterium tuberculosis | Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) | 0.0056 | 0.0836 | 0.1774 |
| Brugia malayi | TAR-binding protein | 0.0135 | 0.2338 | 1 |
| Entamoeba histolytica | acyl-coA synthetase, putative | 0.0075 | 0.12 | 1 |
| Brugia malayi | AMP-binding enzyme family protein | 0.0075 | 0.12 | 0.5134 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0075 | 0.12 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0178 | 0.3159 | 1 |
| Plasmodium falciparum | protein kinase 7 | 0.0357 | 0.6577 | 0.6542 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0075 | 0.12 | 1 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.0099 | 0.0101 |
| Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0037 | 0.0463 | 0.1278 |
| Brugia malayi | Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative | 0.0037 | 0.0463 | 0.1981 |
| Loa Loa (eye worm) | hypothetical protein | 0.0022 | 0.0183 | 0.0781 |
| Mycobacterium ulcerans | long-chain-fatty-acid--CoA ligase | 0.0022 | 0.0183 | 0.1522 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.2172 | 0.6807 |
| Mycobacterium tuberculosis | Possible conserved lipoprotein LpqK | 0.0037 | 0.0463 | 0.0876 |
| Plasmodium vivax | acetyl-CoA synthetase, putative | 0.0022 | 0.0183 | 0.0085 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.2172 | 0.6807 |
| Leishmania major | 4-coumarate:coa ligase-like protein | 0.0075 | 0.12 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0178 | 0.3159 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0135 | 0.2338 | 0.7342 |
| Mycobacterium ulcerans | phenyloxazoline synthase MbtB | 0.0022 | 0.0183 | 0.1522 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0099 | 0.0423 |
| Brugia malayi | major facilitator superfamily protein | 0.0018 | 0.0099 | 0.0423 |
| Echinococcus granulosus | calcium dependent protein kinase | 0.0036 | 0.0453 | 0.1245 |
| Mycobacterium tuberculosis | P-hydroxybenzoyl-AMP ligase FadD22 | 0.0022 | 0.0183 | 0.0202 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Echinococcus multilocularis | solute carrier family 2, facilitated glucose | 0.0126 | 0.2172 | 0.6807 |
| Brugia malayi | Major Facilitator Superfamily protein | 0.0018 | 0.0099 | 0.0423 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.0099 | 0.0101 |
| Mycobacterium ulcerans | bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase | 0.0022 | 0.0183 | 0.1522 |
| Mycobacterium tuberculosis | Conserved protein | 0.0037 | 0.0463 | 0.0876 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0508 | 0.8417 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0135 | 0.2338 | 0.7342 |
| Mycobacterium tuberculosis | Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) | 0.0075 | 0.12 | 0.2651 |
| Mycobacterium ulcerans | sugar-transport integral membrane protein SugI | 0.0018 | 0.0099 | 0.0825 |
| Trypanosoma cruzi | lysyl-tRNA synthetase, putative | 0.0028 | 0.0298 | 0.4942 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Growth Inhibition (functional) | = 5.6964 % | 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) | = 754.3 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 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) | > 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) | > 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: 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: 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: 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) | = 16.1279850006104 uM | MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (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 |
| IC50 (functional) | > 32 uM | MMV: Inhibition of Trypanosoma brucei brucei (Squib 427) (HAT in vitro). | ChEMBL. | No reference |
| Inhibition (functional) | = -14.270500038971 % | 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) | = -5.71004643564071 % | 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) | = -5.710046435640706 % | 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) | = -2.21 % | 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) | = 0 % | GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM | ChEMBL. | 20485427 |
| Inhibition (functional) | = 0.95 % | 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) | = 1.83 % | 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) | = 7 % | 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) | = 8 % | GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. | ChEMBL. | 20485427 |
| Inhibition (functional) | = 10.5230018066686 % | 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) | = 10.523001806668608 % | 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) | = 12.7 % | MMV: Screen against Mtb, single point, replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 14.1 % | MMV: Screen against Mtb, single point, non replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 16.3958703987797 % | 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) | = 68 % | 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) | = 73 % | 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) | = 88 % | 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 (functional) | = 91 % | MMV: Inhibition of Plasmodium falciparum 3D7 at 5uM compound concentration. | ChEMBL. | No reference |
| Inhibition frequency index (IFI) (functional) | = 0 | Inhibition Frequency Index (IFI) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = -2 % | Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 8 % | Percent inhibition of HepG2 growth (at 10 uM) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 73 % | Percent inhibition of P. falciparum Dd2 growth (at 2 uM) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 88 % | Percent inhibition of P. falciparum 3D7 growth (at 2 uM) | GSK. | 20485427 |
| Ratio (functional) | = 1.06349206349206 | 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) | = -0.0136 | 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 |
| Relative Growth (functional) | = 0.0235 | 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) | = 0.1615 | 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 |
| 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 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 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) | = 5.83 | XC50 determination of P. falciparum 3D7 growth | GSK. | 20485427 |
| XC50 (functional) | = 1.48829 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 |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | ||
| Trypanosoma brucei gambiense |
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: CHEMBL533921
- Search by GSK
Bibliographic References
1 literature reference was collected for this gene.
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