Detailed information for compound 1630352
Basic information
Technical information
- TDR Targets ID: 1630352
- Name: N'-(8-chloro-5H-pyrimido[5,6-b]indol-4-yl)-N, N-diethylethane-1,2-diamine
- MW: 317.817 | Formula: C16H20ClN5
-
H donors: 2
H acceptors: 2
LogP: 3.47
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: CCN(CCNc1ncnc2c1[nH]c1c2cc(cc1)Cl)CC
- InChi: 1S/C16H20ClN5/c1-3-22(4-2)8-7-18-16-15-14(19-10-20-16)12-9-11(17)5-6-13(12)21-15/h5-6,9-10,21H,3-4,7-8H2,1-2H3,(H,18,19,20)
- InChiKey: YZZGEZJZTYYZGG-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N'-(8-chloro-5H-pyrimido[5,6-b]indol-4-yl)-N,N-diethyl-ethane-1,2-diamine
- 2-[(8-chloro-5H-pyrimido[5,6-b]indol-4-yl)amino]ethyl-diethyl-amine
- STOCK3S-34185
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Plasmodium falciparum | hexose transporter | Starlite/ChEMBL | No references |
| Plasmodium falciparum | lysine--tRNA ligase | Starlite/ChEMBL | No references |
| Plasmodium falciparum | calcium-dependent protein kinase 1 | Starlite/ChEMBL | No references |
| Plasmodium falciparum (isolate 3D7) | Calcium-dependent protein kinase 4 | Starlite/ChEMBL | No references |
| Plasmodium falciparum (isolate 3D7) | Proline--tRNA ligase | 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 | mitogen-activated protein kinase 2 | Starlite/ChEMBL | No references |
| Homo sapiens | solute carrier family 2 (facilitated glucose transporter), member 1 | 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 |
|---|---|---|---|---|
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Brugia malayi | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 0.036 |
| Echinococcus multilocularis | orexin receptor type 2 | 0.0307 | 0.5626 | 1 |
| Treponema pallidum | prolyl-tRNA synthetase | 0.0013 | 0 | 0.5 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0493 | 0.1973 |
| Echinococcus granulosus | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0484 | 1 |
| Echinococcus multilocularis | calcium dependent protein kinase | 0.0036 | 0.0438 | 0.0639 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Mycobacterium leprae | Probable prolyl tRNA synthetase ProS | 0.0038 | 0.0469 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0493 | 0.1973 |
| Brugia malayi | GnHR receptor homolog | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0722 |
| Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | peptide allatostatin:somatostatin | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Echinococcus multilocularis | pyroglutamylated rfamide peptide receptor | 0.0307 | 0.5626 | 1 |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 1 |
| Plasmodium falciparum | mitogen-activated protein kinase 2 | 0.0204 | 0.3649 | 0.3595 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Giardia lamblia | Prolyl-tRNA synthetase | 0.0038 | 0.0469 | 1 |
| Trichomonas vaginalis | prolyl-tRNA synthetase, putative | 0.0038 | 0.0469 | 0.1855 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Schistosoma mansoni | amine GPCR | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3747 |
| Trypanosoma brucei | lysyl-tRNA synthetase, putative | 0.0028 | 0.0283 | 0.395 |
| Trichomonas vaginalis | lysyl-tRNA synthetase, putative | 0.0028 | 0.0283 | 0.0961 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | CAMK/CAMK2 protein kinase | 0.0039 | 0.0484 | 0.0792 |
| Schistosoma mansoni | neuropeptide receptor | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | thyrotropin releasing hormone receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Toxoplasma gondii | prolyl-tRNA synthetase (ProRS) | 0.0044 | 0.0589 | 0.0779 |
| Plasmodium falciparum | calcium-dependent protein kinase 3 | 0.0039 | 0.0484 | 0.0404 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0307 | 0.5626 | 1 |
| Mycobacterium ulcerans | sugar transporter | 0.0018 | 0.0084 | 0.2954 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Echinococcus multilocularis | dro:myosuppressin receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | lysyl tRNA synthetase | 0.0028 | 0.0283 | 0.036 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Loa Loa (eye worm) | G-protein-linked acetylcholine receptor protein 2 | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | histamine-responsive GPCR (AAF21638) | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0722 |
| Brugia malayi | Dopamine receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | peptide (allatostatin:somatostatin) | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0484 | 1 |
| Echinococcus granulosus | growth hormone secretagogue receptor type 1 | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | G protein coupled receptor 139 | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Plasmodium falciparum | protein kinase 7 | 0.0357 | 0.6571 | 0.6542 |
| Echinococcus granulosus | pyroglutamylated rfamide peptide receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | fmrfamide receptor | 0.0307 | 0.5626 | 1 |
| Plasmodium vivax | calcium-dependent protein kinase 1, putative | 0.0039 | 0.0484 | 0.0404 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0484 | 0.0792 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0722 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0484 | 0.0722 |
| Plasmodium vivax | mitogen-activated protein kinase 2, putative | 0.0204 | 0.3649 | 0.3595 |
| Schistosoma mansoni | amine GPCR | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK3 | 0.0039 | 0.0484 | 0.0617 |
| Brugia malayi | Sugar transporter family protein | 0.0126 | 0.216 | 0.3747 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2A | 0.0039 | 0.0484 | 0.0617 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | calcium dependent protein kinase | 0.0036 | 0.0438 | 0.0639 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | histamine h1 receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.216 | 0.3747 |
| Trypanosoma cruzi | hexose transporter | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3747 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0307 | 0.5626 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0493 | 0.1973 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Schistosoma mansoni | opsin-like receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.0084 | 0.0076 |
| Brugia malayi | Cam kinase protein 1 | 0.0039 | 0.0484 | 0.0722 |
| Schistosoma mansoni | amine GPCR | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | allatostatin A receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | 5-hydroxytryptamine 2C receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | myosin xvIII | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | allatostatin A receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0307 | 0.5626 | 1 |
| Brugia malayi | putative neuropeptide receptor | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | calcium/calmodulin-dependent protein kinase, putative | 0.0039 | 0.0484 | 0.7919 |
| Echinococcus multilocularis | neuropeptide FF receptor 2 | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.216 | 0.3747 |
| Brugia malayi | Dopamine receptor protein 2 | 0.0307 | 0.5626 | 1 |
| Brugia malayi | Dopamine receptor protein 1 | 0.0307 | 0.5626 | 1 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 2 LysX | 0.0024 | 0.0202 | 1 |
| Schistosoma mansoni | muscarinic acetylcholine (GAR) receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | g-protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Toxoplasma gondii | cell-cycle-associated protein kinase MAPK, putative | 0.0204 | 0.3649 | 0.5495 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Echinococcus granulosus | orexin receptor type 2 | 0.0307 | 0.5626 | 1 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2B | 0.0039 | 0.0484 | 0.0617 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0307 | 0.5626 | 1 |
| Brugia malayi | sulfakinin receptor protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0722 |
| Trypanosoma cruzi | lysyl-tRNA synthetase, putative | 0.0028 | 0.0283 | 0.395 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Mycobacterium ulcerans | fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT | 0.0018 | 0.0084 | 0.2954 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0493 | 0.1973 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0484 | 0.0722 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Trichomonas vaginalis | lysyl-tRNA synthetase, putative | 0.0025 | 0.0217 | 0.0641 |
| Brugia malayi | Melatonin receptor type 1A | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | G-protein coupled receptor, putative | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Wolbachia endosymbiont of Brugia malayi | major facilitator superfamily permease | 0.0018 | 0.0084 | 0.5 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | G protein coupled 5 hydroxytryptamine receptor | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | alpha 1A adrenergic receptor | 0.0307 | 0.5626 | 1 |
| Entamoeba histolytica | prolyl-tRNA synthetase, putative | 0.0038 | 0.0469 | 0.9253 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | somatostatin receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0307 | 0.5626 | 1 |
| Plasmodium vivax | calcium-dependent protein kinase 4, putative | 0.0039 | 0.0484 | 0.0404 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3747 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | somatostatin receptor | 0.0307 | 0.5626 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | adenoreceptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Brugia malayi | Serotonin receptor | 0.0307 | 0.5626 | 1 |
| Plasmodium falciparum | hexose transporter | 0.0126 | 0.216 | 0.2094 |
| Loa Loa (eye worm) | sugar transporter | 0.0018 | 0.0084 | 0.0076 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.216 | 0.3747 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Leishmania major | protein kinase, putative | 0.0039 | 0.0484 | 0.7919 |
| Plasmodium falciparum | proline--tRNA ligase | 0.0044 | 0.0589 | 0.051 |
| Brugia malayi | Serotonin receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | sex peptide receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0307 | 0.5626 | 1 |
| Plasmodium vivax | hexose transporter | 0.0126 | 0.216 | 0.2094 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Brugia malayi | gonadotropin-releasing hormone receptor 2 | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3747 |
| Onchocerca volvulus | Neuropeptide F receptor homolog | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Plasmodium vivax | calcium-dependent protein kinase, putative | 0.0039 | 0.0484 | 0.0404 |
| Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0283 | 0.0433 |
| Trypanosoma brucei | glucose transporter 2A | 0.0039 | 0.0493 | 0.8107 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0307 | 0.5626 | 1 |
| Brugia malayi | RE15519p | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | thyrotropin releasing hormone receptor | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Loa Loa (eye worm) | sugar transporter | 0.0126 | 0.216 | 0.3794 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0307 | 0.5626 | 1 |
| Mycobacterium ulcerans | sugar-transport integral membrane protein SugI | 0.0018 | 0.0084 | 0.2954 |
| Plasmodium falciparum | calcium-dependent protein kinase 4 | 0.0039 | 0.0484 | 0.0404 |
| Schistosoma mansoni | biogenic amine receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Schistosoma mansoni | neuropeptide f receptor 76f | 0.0307 | 0.5626 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0307 | 0.5626 | 1 |
| Brugia malayi | G protein-coupled receptor F59B2.13 | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | G protein coupled receptor 139 | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 0.036 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3747 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0469 | 0.0765 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0021 | 0.0154 | 0.1383 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0722 |
| Loa Loa (eye worm) | hypothetical protein | 0.0031 | 0.0333 | 0.0522 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Plasmodium falciparum | calcium-dependent protein kinase 5 | 0.0039 | 0.0484 | 0.0404 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | unidentified vitellogenin-linked transcript protein 6 | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | 7TM GPCR rhodopsin | 0.0307 | 0.5626 | 1 |
| Plasmodium falciparum | calcium-dependent protein kinase 2 | 0.0039 | 0.0484 | 0.0404 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | General substrate transporter | 0.0108 | 0.1821 | 0.3134 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0469 | 0.0765 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | dro:myosuppressin receptor | 0.0307 | 0.5626 | 1 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Echinococcus multilocularis | solute carrier family 2, facilitated glucose | 0.0126 | 0.216 | 0.3747 |
| Plasmodium vivax | calcium-dependent protein kinase 3, putative | 0.0039 | 0.0484 | 0.0404 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0307 | 0.5626 | 1 |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | serotonin receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Brugia malayi | follicle stimulating hormone receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0039 | 0.0484 | 0.0722 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Leishmania major | glucose transporter, lmgt3 | 0.0039 | 0.0493 | 0.8107 |
| Leishmania major | glucose transporter, lmgt2 | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus granulosus | neuropeptide receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0722 |
| Mycobacterium leprae | Possible lysyl-tRNA synthetase 2 LysX | 0.0028 | 0.0283 | 0.3046 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0126 | 0.216 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | alpha-1 adrenergic receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0493 | 0.1973 |
| Toxoplasma gondii | protein kinase, putative | 0.0357 | 0.6571 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0493 | 0.1973 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3747 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type 1 | 0.0039 | 0.0484 | 0.0722 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | growth hormone secretagogue receptor type 1 | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | melatonin receptor type 1A | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Leishmania major | glucose transporter/membrane transporter D2, putative | 0.0039 | 0.0493 | 0.8107 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Brugia malayi | G-protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Mycobacterium ulcerans | integral membrane transport protein | 0.0018 | 0.0084 | 0.2954 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Plasmodium falciparum | lysine--tRNA ligase | 0.0028 | 0.0283 | 0.0201 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 0.036 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Chlamydia trachomatis | lysine--tRNA ligase | 0.0028 | 0.0283 | 1 |
| Toxoplasma gondii | lysine-tRNA ligase | 0.0028 | 0.0283 | 0.0308 |
| Loa Loa (eye worm) | gonadotropin-releasing hormone receptor 2 | 0.0307 | 0.5626 | 1 |
| Brugia malayi | Unidentified vitellogenin-linked transcript protein 6, putative | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | G protein coupled 5 hydroxytryptamine receptor | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | ancient conserved domain protein 2 (cyclin m2) | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | growth hormone secretagogue receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | tachykinin peptides receptor 99D | 0.0307 | 0.5626 | 1 |
| Brugia malayi | Calcium/calmodulin-dependent protein kinase type II alpha chain | 0.0039 | 0.0484 | 0.0722 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | lysyl tRNA synthetase | 0.0028 | 0.0283 | 0.036 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0307 | 0.5626 | 1 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Trypanosoma brucei | glucose transporter 1E | 0.0039 | 0.0493 | 0.8107 |
| Brugia malayi | G protein-coupled receptor | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0307 | 0.5626 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0039 | 0.0484 | 0.1927 |
| Loa Loa (eye worm) | TYRA-2 protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Leishmania major | lysyl-tRNA synthetase, putative | 0.0028 | 0.0283 | 0.395 |
| Echinococcus multilocularis | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.0469 | 0.0695 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | neuropeptide FF receptor 2 | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | peptide (allatostatin)-like receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0126 | 0.216 | 0.3747 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Plasmodium vivax | proline--tRNA ligase, putative | 0.0044 | 0.0589 | 0.051 |
| Echinococcus granulosus | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.0469 | 0.0695 |
| Schistosoma mansoni | peptide (FMRFamide/neurokinin-3)-like receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | 7TM GPCR, rhodopsin | 0.0307 | 0.5626 | 1 |
| Brugia malayi | Tachykinin-like peptides receptor 99D | 0.0307 | 0.5626 | 1 |
| Onchocerca volvulus | 0.0307 | 0.5626 | 1 | |
| Echinococcus multilocularis | tachykinin peptides receptor 99D | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | sex peptide receptor | 0.0307 | 0.5626 | 1 |
| Brugia malayi | putative neuropeptide receptor NPR1 | 0.0307 | 0.5626 | 1 |
| Plasmodium falciparum | calcium-dependent protein kinase 1 | 0.0039 | 0.0484 | 0.0404 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Echinococcus multilocularis | alpha 1A adrenergic receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0722 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus granulosus | General substrate transporter | 0.0108 | 0.1821 | 0.3134 |
| Echinococcus multilocularis | g-protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0307 | 0.5626 | 1 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0493 | 0.1973 |
| Giardia lamblia | Lysyl-tRNA synthetase | 0.0028 | 0.0283 | 0.5182 |
| Echinococcus granulosus | g protein coupled receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Brugia malayi | AKH receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Leishmania major | glucose transporter, lmgt1 | 0.0039 | 0.0493 | 0.8107 |
| Schistosoma mansoni | thyrotropin-releasing hormone receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.0084 | 0.0076 |
| Brugia malayi | neuropeptide F receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.0469 | 0.0695 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.0469 | 0.0695 |
| Loa Loa (eye worm) | calcium/calmodulin-dependent protein kinase ID | 0.0039 | 0.0484 | 0.0792 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0307 | 0.5626 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0307 | 0.5626 | 1 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Brugia malayi | bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.0469 | 0.0695 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Brugia malayi | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Plasmodium vivax | lysine--tRNA ligase, putative | 0.0028 | 0.0283 | 0.0201 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0484 | 0.0722 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Brugia malayi | Bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.0469 | 0.0695 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3747 |
| Schistosoma mansoni | amine GPCR | 0.0307 | 0.5626 | 1 |
| Toxoplasma gondii | facilitative glucose transporter GT1 | 0.0126 | 0.216 | 0.3201 |
| Brugia malayi | G-protein-linked acetylcholine receptor protein 2, putative | 0.0307 | 0.5626 | 1 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) | 0.0024 | 0.0202 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0307 | 0.5626 | 1 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | peptide (allatostatin/somatostatin)-like receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
| Brugia malayi | ORL1-like opioid receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Brugia malayi | larval opioid receptor | 0.0307 | 0.5626 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0307 | 0.5626 | 1 |
| Plasmodium vivax | CDK-related protein kinase 6, putative | 0.0536 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0076 |
| Brugia malayi | Dopamine receptor protein 1, putative (partial) | 0.0307 | 0.5626 | 1 |
| Echinococcus granulosus | 7tm_1 domain containing protein | 0.0307 | 0.5626 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0307 | 0.5626 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 406 nM | MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). | ChEMBL. | No reference |
| Growth Inhibition (functional) | = 10.0038 % | 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) | = 373 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) | = 0.266 uM | MMV: Modified 3H-Hyoxanthine uptake assay; 1% O2, 5% CO2 in N2. | ChEMBL. | No reference |
| IC50 (functional) | = 0.314 uM | MMV: 3H-Hyoxanthine uptake assay; 5% O2, 5% CO2 in N2. | ChEMBL. | No reference |
| IC50 (functional) | = 0.326 uM | MMV: 3H-Hyoxanthine uptake assay; RPMI 1640 (Invitrogen cat#11875-093) with Sodium Bicarbonate (NaHCO3) 2000 mg/mL. | ChEMBL. | No reference |
| IC50 (functional) | = 0.851 uM | MMV: Modified 3H-Hyoxanthine uptake assay; RPMI 1640 (Invitrogen cat#23400-013) without Sodium Bicarbonate (NaHCO3). | 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: 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) | > 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) | > 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) | = 3.73497581481934 uM | MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (HAT in vitro). | ChEMBL. | No reference |
| IC50 (functional) | = 4.0866756439209 uM | MMV: Inhibition of Trypanosoma brucei brucei (Squib 427) (HAT in vitro). | ChEMBL. | No reference |
| IC50 (functional) | = 10.7262725830078 uM | MMV: Inhibition of Trypanosoma cruzi (Tulahuen C4 LacZ) (Chagas in vitro). | ChEMBL. | No reference |
| IC50 (functional) | = 10.726272583007812 uM | MMV: Inhibition of Trypanosoma cruzi (Tulahuen C4 LacZ) (Chagas in vitro). | ChEMBL. | No reference |
| IC50 (functional) | = 16.2279415130615 uM | MMV: Inhibition of Leishmania infantum (MHOM/MA/BE/67) in vitro. | ChEMBL. | No reference |
| IC50 (functional) | = 16.227941513061523 uM | MMV: Inhibition of Leishmania infantum (MHOM/MA/BE/67) 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 | > 32 uM | MMV: Cytotoxicity against human fibroblasts (MRC-5) cells. | ChEMBL. | No reference |
| Inhibition (functional) | = -43.464244005774 % | 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) | = -43.464244005773956 % | 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) | = -27.9784746640013 % | 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) | = -27.978474664001286 % | 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) | = -27.57863656614 % | 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) | = -19.3440114652628 % | 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) | = -19.34401146526276 % | 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) | = 15.4 % | MMV: Screen against Mtb, single point, replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 18.1 % | MMV: Screen against Mtb, single point, non replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 97 % | 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) | = 99 % | 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 |
| IZ | = 0 mm | MMV: Selection for compounds that exhibit enhanced toxicity in combination with artemisinin. Assay utilized the disc diffusion method with the observance of a clear zone indicating inhibition of growth. Synthetic complete medium containing 3% glycerol as a carbon source (SCG) was used in each assay. 10 uL of each compound was added to a paper disc which was placed on SCG and SCG+Artemisinin (0.2 uM) plates seeded with 10e6 yeast cells (WC081 strain: Mat a, leu2 delta 0, lys2 delta 0, ura3 delta 0, his3 delta 1, pdr1 delta::HIS3, pdr3 delta::kanMX4, derived from BY4742, regulators of Multi-drug resistance transporters have been deleted to enhance toxicity of compounds). Plates were incubated at 30 degrees C for 5 days and clear zones were measured. Compounds that produced a larger clear zone in the presence of artemisinin was considered to have an additive interaction with artemisinin. Results are reported as diameter of clear zone on SCG+artemisinin plates - diameter of clear zone on SCG plates without artemisinin. | ChEMBL. | No reference |
| Ratio (functional) | = 0.692307692307692 | 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) | = -0.0494 | 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) | = 0.0317 | 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) | = 0.0885 | 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 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 |
| 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 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | ||
| Leishmania infantum | ChEMBL23 | ||
| Trypanosoma cruzi | 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.
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External resources for this compound
- ChEMBL: CHEMBL2028055
Bibliographic References
No literature references available for this target.
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