Detailed information for compound 596279
Basic information
Technical information
- TDR Targets ID: 596279
- Name: 3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxa diazol-3-yl]benzamide
- MW: 359.764 | Formula: C17H14ClN3O4
-
H donors: 1
H acceptors: 3
LogP: 3.15
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1OC)c1nonc1NC(=O)c1cccc(c1)Cl
- InChi: 1S/C17H14ClN3O4/c1-23-13-7-6-10(9-14(13)24-2)15-16(21-25-20-15)19-17(22)11-4-3-5-12(18)8-11/h3-9H,1-2H3,(H,19,21,22)
- InChiKey: IYTUWYOBMXKSBS-UHFFFAOYSA-N
Network
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Synonyms
- 3-chloro-N-[4-(3,4-dimethoxyphenyl)furazan-3-yl]benzamide
- STOCK6S-02332
- ZINC05451394
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) | Proline--tRNA ligase | Starlite/ChEMBL | No references |
| Plasmodium falciparum (isolate 3D7) | Calcium-dependent protein kinase 4 | 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 |
| Homo sapiens | solute carrier family 2 (facilitated glucose transporter), member 1 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | mitogen-activated protein kinase 2 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0062 | 0.0885 | 0.2925 |
| Echinococcus granulosus | tumor protein p63 | 0.0346 | 0.6343 | 0.9011 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0442 | 0.0952 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Brugia malayi | Major Facilitator Superfamily protein | 0.0018 | 0.0031 | 0.0081 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0067 | 0.0177 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0418 | 0.1103 |
| Echinococcus multilocularis | regulator of G protein signaling 3 | 0.002 | 0.0067 | 0.0095 |
| Echinococcus granulosus | lipoxygenase domain containing protein | 0.002 | 0.0078 | 0.011 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0442 | 0.0627 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type 1 | 0.0039 | 0.0442 | 0.0627 |
| Echinococcus multilocularis | calcium dependent protein kinase | 0.0036 | 0.0387 | 0.0549 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Schistosoma mansoni | rab6-interacting | 0.002 | 0.0078 | 0.0257 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0067 | 0.0177 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.2117 | 0.6995 |
| Wolbachia endosymbiont of Brugia malayi | major facilitator superfamily permease | 0.0018 | 0.0031 | 0.5 |
| Brugia malayi | Sugar transporter family protein | 0.0126 | 0.2117 | 0.5588 |
| Echinococcus granulosus | axis inhibition protein axin | 0.002 | 0.0067 | 0.0095 |
| Schistosoma mansoni | regulator of G protein signaling | 0.002 | 0.0067 | 0.0221 |
| Echinococcus multilocularis | synaptic vesicle 2 protein | 0.0018 | 0.0031 | 0.0044 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.0031 | 0.0101 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Echinococcus granulosus | arachidonate 5 lipoxygenase | 0.0057 | 0.0776 | 0.1103 |
| Giardia lamblia | Ubiquitin carboxyl-terminal hydrolase 4 | 0.0038 | 0.0418 | 0.5461 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.2117 | 0.6995 |
| Brugia malayi | major facilitator superfamily protein | 0.0018 | 0.0031 | 0.0081 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0055 | 0.0739 | 0.2443 |
| Plasmodium falciparum | proline--tRNA ligase | 0.0044 | 0.0538 | 0.0509 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0442 | 0.0952 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.2117 | 0.3007 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0231 | 0.0764 |
| Echinococcus multilocularis | Sugar transporter ERD6 protein | 0.0018 | 0.0031 | 0.0044 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.002 | 0.0067 | 0.0084 |
| Leishmania major | glucose transporter, lmgt1 | 0.0039 | 0.0442 | 0.4816 |
| Echinococcus granulosus | calcium dependent protein kinase | 0.0036 | 0.0387 | 0.0549 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0078 | 0.0205 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0051 | 0.0671 | 0.1772 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0442 | 0.0627 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.2117 | 0.3007 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0055 | 0.0739 | 1 |
| Schistosoma mansoni | nuclear transcription factor X-box binding 1 (nfx1) | 0.0018 | 0.0031 | 0.0101 |
| Plasmodium falciparum | calcium-dependent protein kinase 4 | 0.0039 | 0.0442 | 0.0413 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0442 | 0.0627 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0442 | 0.0627 |
| Brugia malayi | lysyl-tRNA synthetase | 0.0028 | 0.0231 | 0.061 |
| Trichomonas vaginalis | lysyl-tRNA synthetase, putative | 0.0028 | 0.0231 | 0.0464 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0062 | 0.0885 | 1 |
| Trichomonas vaginalis | set domain proteins, putative | 0.0243 | 0.4354 | 1 |
| Echinococcus multilocularis | expressed protein | 0.0382 | 0.7039 | 1 |
| Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0062 | 0.0885 | 0.1257 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0055 | 0.0739 | 0.105 |
| Loa Loa (eye worm) | sugar transporter | 0.0018 | 0.0031 | 0.0081 |
| Brugia malayi | hypothetical protein | 0.002 | 0.0078 | 0.0205 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.0031 | 0.0044 |
| Onchocerca volvulus | 0.0243 | 0.4354 | 1 | |
| Plasmodium vivax | hexose transporter | 0.0126 | 0.2117 | 0.2092 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0055 | 0.0739 | 1 |
| Echinococcus granulosus | synaptic vesicle 2 protein | 0.0018 | 0.0031 | 0.0044 |
| Toxoplasma gondii | aldehyde dehydrogenase | 0.0062 | 0.0885 | 0.1309 |
| Echinococcus multilocularis | General substrate transporter | 0.0108 | 0.1775 | 0.2522 |
| Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0031 | 0.0277 | 0.0916 |
| Echinococcus granulosus | regulator of G protein signaling 3 | 0.002 | 0.0067 | 0.0095 |
| Schistosoma mansoni | glucose transporter | 0.0018 | 0.0031 | 0.0101 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0035 | 0.036 | 0.0952 |
| Schistosoma mansoni | regulator of G protein signaling | 0.002 | 0.0067 | 0.0221 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.2117 | 0.3007 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Echinococcus granulosus | regulator of G protein signaling 7 | 0.002 | 0.0067 | 0.0095 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0023 | 0.0122 | 0.0404 |
| Echinococcus multilocularis | A kinase anchor protein 10, mitochondrial | 0.002 | 0.0067 | 0.0095 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0055 | 0.0739 | 1 |
| Brugia malayi | Sugar transporter family protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0442 | 0.0627 |
| Toxoplasma gondii | cell-cycle-associated protein kinase MAPK, putative | 0.0204 | 0.3621 | 0.5501 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0055 | 0.0739 | 1 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0442 | 0.146 |
| Echinococcus multilocularis | Polycystic kidney disease protein | 0.002 | 0.0078 | 0.011 |
| Echinococcus multilocularis | ubiquitin specific protease 41 | 0.0038 | 0.0418 | 0.0593 |
| Schistosoma mansoni | hypothetical protein | 0.0173 | 0.3026 | 1 |
| Brugia malayi | Cam kinase protein 1 | 0.0039 | 0.0442 | 0.1166 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0055 | 0.0739 | 0.1639 |
| Echinococcus multilocularis | RUN | 0.002 | 0.0078 | 0.011 |
| Brugia malayi | Pre-SET motif family protein | 0.0031 | 0.0277 | 0.0732 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK3 | 0.0039 | 0.0442 | 0.0631 |
| Schistosoma mansoni | cellular tumor antigen P53 | 0.0051 | 0.0663 | 0.2192 |
| Schistosoma mansoni | rab6-interacting | 0.002 | 0.0078 | 0.0257 |
| Mycobacterium leprae | Possible lysyl-tRNA synthetase 2 LysX | 0.0028 | 0.0231 | 0.3046 |
| Brugia malayi | Bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.0418 | 0.1103 |
| Onchocerca volvulus | 0.002 | 0.0078 | 0.0109 | |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0067 | 0.0177 |
| Brugia malayi | bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.0418 | 0.1103 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0442 | 0.0952 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0055 | 0.0739 | 0.8292 |
| Plasmodium falciparum | mitogen-activated protein kinase 2 | 0.0204 | 0.3621 | 0.3601 |
| Loa Loa (eye worm) | hypothetical protein | 0.0051 | 0.0671 | 0.1772 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.0031 | 0.0044 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Schistosoma mansoni | loxhd1 | 0.002 | 0.0078 | 0.0257 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0078 | 0.0205 |
| Echinococcus granulosus | beta-adrenergic receptor kinase | 0.0023 | 0.0122 | 0.0174 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0442 | 0.0952 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2B | 0.0039 | 0.0442 | 0.0631 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Trypanosoma brucei | ubiquitin carboxyl-terminal hydrolase, putative | 0.0038 | 0.0418 | 0.5461 |
| Plasmodium falciparum | calcium-dependent protein kinase 2 | 0.0039 | 0.0442 | 0.0413 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0442 | 1 |
| Echinococcus granulosus | lipoxygenase domain containing protein | 0.002 | 0.0078 | 0.011 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0442 | 0.0627 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0039 | 0.0442 | 0.146 |
| Mycobacterium leprae | Probable prolyl tRNA synthetase ProS | 0.0038 | 0.0418 | 1 |
| Loa Loa (eye worm) | G protein signaling regulator EGL-10 | 0.002 | 0.0067 | 0.0177 |
| Echinococcus multilocularis | geminin | 0.0173 | 0.3026 | 0.4299 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0538 | 0.7164 |
| Plasmodium vivax | proline--tRNA ligase, putative | 0.0044 | 0.0538 | 0.0509 |
| Schistosoma mansoni | axis inhibition protein axin | 0.002 | 0.0067 | 0.0221 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0039 | 0.0442 | 0.0951 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.002 | 0.0067 | 0.0084 |
| Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0031 | 0.0277 | 0.0916 |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0231 | 0.2347 |
| Echinococcus multilocularis | beta adrenergic receptor kinase | 0.0023 | 0.0122 | 0.0174 |
| Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0038 | 0.0418 | 0.0895 |
| Leishmania major | glucose transporter, lmgt2 | 0.0039 | 0.0442 | 0.4816 |
| Toxoplasma gondii | lysine-tRNA ligase | 0.0028 | 0.0231 | 0.0307 |
| Loa Loa (eye worm) | hypothetical protein | 0.0031 | 0.0281 | 0.0742 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0442 | 0.0952 |
| Schistosoma mansoni | hypothetical protein | 0.002 | 0.0078 | 0.0257 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0055 | 0.0739 | 0.8292 |
| Echinococcus multilocularis | axis inhibition protein axin | 0.002 | 0.0067 | 0.0095 |
| Leishmania major | ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative | 0.0038 | 0.0418 | 0.4528 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.0031 | 0.0081 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.0031 | 0.0101 |
| Echinococcus multilocularis | Regulator of G protein signaling 20 | 0.002 | 0.0067 | 0.0095 |
| Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0062 | 0.0885 | 1 |
| Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0038 | 0.0418 | 0.5461 |
| Brugia malayi | hypothetical protein | 0.002 | 0.0067 | 0.0177 |
| Schistosoma mansoni | hypothetical protein | 0.0126 | 0.2117 | 0.6995 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0023 | 0.0122 | 0.0404 |
| Brugia malayi | Major Facilitator Superfamily protein | 0.0018 | 0.0031 | 0.0081 |
| Trypanosoma brucei | calcium/calmodulin-dependent protein kinase, putative | 0.0039 | 0.0442 | 0.5802 |
| Brugia malayi | hypothetical protein | 0.002 | 0.0067 | 0.0177 |
| Plasmodium vivax | calcium-dependent protein kinase 3, putative | 0.0039 | 0.0442 | 0.0413 |
| Schistosoma mansoni | regulator of G protein signaling | 0.002 | 0.0067 | 0.0221 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0055 | 0.0739 | 1 |
| Echinococcus granulosus | 5'partial|histone lysine N methyltransferase SETDB2 | 0.0029 | 0.0256 | 0.0363 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0055 | 0.0739 | 0.1952 |
| Echinococcus multilocularis | regulator of G protein signaling 7 | 0.002 | 0.0067 | 0.0095 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0231 | 0.061 |
| Echinococcus multilocularis | histone lysine methyltransferase setb histone lysine methyltransferase eggless | 0.0031 | 0.0277 | 0.0394 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0442 | 0.0952 |
| Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0062 | 0.0885 | 0.1257 |
| Brugia malayi | Regulator of G protein signaling domain containing protein | 0.002 | 0.0067 | 0.0177 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0067 | 0.0177 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0062 | 0.0885 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0126 | 0.2117 | 0.4825 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0055 | 0.0739 | 0.1086 |
| Plasmodium vivax | SET domain protein, putative | 0.0031 | 0.0277 | 0.0247 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0055 | 0.0739 | 0.1639 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Schistosoma mansoni | regulator of G protein signaling 3 rgs3 | 0.002 | 0.0067 | 0.0221 |
| Plasmodium vivax | lysine--tRNA ligase, putative | 0.0028 | 0.0231 | 0.0201 |
| Brugia malayi | hypothetical protein | 0.002 | 0.0078 | 0.0205 |
| Brugia malayi | major facilitator superfamily protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus multilocularis | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.0418 | 0.0593 |
| Echinococcus granulosus | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.0418 | 0.0593 |
| Loa Loa (eye worm) | AGC/GRK/GRK protein kinase | 0.0023 | 0.0122 | 0.0323 |
| Trypanosoma brucei | bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0538 | 0.7164 |
| Plasmodium vivax | calcium-dependent protein kinase 4, putative | 0.0039 | 0.0442 | 0.0413 |
| Echinococcus multilocularis | Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 | 0.0038 | 0.0418 | 0.0593 |
| Brugia malayi | Calcium/calmodulin-dependent protein kinase type II alpha chain | 0.0039 | 0.0442 | 0.1166 |
| Plasmodium falciparum | LCCL domain-containing protein | 0.002 | 0.0078 | 0.0047 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.0418 | 0.138 |
| Echinococcus granulosus | axis inhibition protein axin | 0.002 | 0.0067 | 0.0095 |
| Loa Loa (eye worm) | doublecortin family protein | 0.002 | 0.0078 | 0.0205 |
| Echinococcus multilocularis | lipoxygenase domain containing protein | 0.002 | 0.0078 | 0.011 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0055 | 0.0739 | 0.1639 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0067 | 0.0177 |
| Trypanosoma brucei | protein kinase, putative | 0.0055 | 0.0739 | 1 |
| Brugia malayi | Ubiquitin carboxyl-terminal hydrolase family protein | 0.0038 | 0.0418 | 0.1103 |
| Echinococcus granulosus | A kinase anchor protein 10 mitochondrial | 0.002 | 0.0067 | 0.0095 |
| Schistosoma mansoni | z-protein (S1r protein) | 0.002 | 0.0067 | 0.0221 |
| Leishmania major | lysyl-tRNA synthetase, putative | 0.0028 | 0.0231 | 0.2347 |
| Brugia malayi | Doublecortin family protein | 0.002 | 0.0078 | 0.0205 |
| Schistosoma mansoni | hypothetical protein | 0.0173 | 0.3026 | 1 |
| Brugia malayi | regulator of G-protein signaling egl-10 | 0.002 | 0.0067 | 0.0177 |
| Plasmodium falciparum | calcium-dependent protein kinase 5 | 0.0039 | 0.0442 | 0.0413 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.0031 | 0.0044 |
| Brugia malayi | regulator of G-protein signaling rgs-7 | 0.002 | 0.0067 | 0.0177 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus granulosus | regulator of G protein signaling 3 | 0.002 | 0.0067 | 0.0095 |
| Loa Loa (eye worm) | AGC/GRK/BARK protein kinase | 0.0023 | 0.0122 | 0.0323 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0051 | 0.0671 | 0.1772 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Loa Loa (eye worm) | RGS-3 protein | 0.002 | 0.0067 | 0.0177 |
| Loa Loa (eye worm) | hypothetical protein | 0.0051 | 0.0663 | 0.1751 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0038 | 0.0418 | 0.0895 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Plasmodium falciparum | protein kinase 7 | 0.0357 | 0.6556 | 0.6545 |
| Trypanosoma brucei | lysyl-tRNA synthetase, putative | 0.0028 | 0.0231 | 0.283 |
| Schistosoma mansoni | lipoxygenase | 0.0057 | 0.0776 | 0.2566 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0538 | 0.7164 |
| Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0062 | 0.0885 | 1 |
| Echinococcus granulosus | lysyl tRNA synthetase | 0.0028 | 0.0231 | 0.0328 |
| Schistosoma mansoni | ubiquitin-specific peptidase 8 (C19 family) | 0.0038 | 0.0418 | 0.138 |
| Echinococcus multilocularis | ubiquitin carboxyl terminal hydrolase 8 | 0.0038 | 0.0418 | 0.0593 |
| Trypanosoma brucei | glucose transporter 2A | 0.0039 | 0.0442 | 0.5808 |
| Schistosoma mansoni | regulator of G protein signaling | 0.002 | 0.0067 | 0.0221 |
| Echinococcus granulosus | Regulator of G protein signaling 20 | 0.002 | 0.0067 | 0.0095 |
| Echinococcus multilocularis | solute carrier family 2, facilitated glucose | 0.0126 | 0.2117 | 0.3007 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Leishmania major | protein kinase, putative | 0.0039 | 0.0442 | 0.4811 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0055 | 0.0739 | 0.105 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.2117 | 0.3007 |
| Schistosoma mansoni | polycystin 1-related | 0.002 | 0.0078 | 0.0257 |
| Echinococcus granulosus | General substrate transporter | 0.0108 | 0.1775 | 0.2522 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Toxoplasma gondii | protein kinase, putative | 0.0357 | 0.6556 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0055 | 0.0739 | 0.1639 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.2117 | 0.3007 |
| Schistosoma mansoni | regulator of G protein signaling 17 19 20 (rgs17 19 20) | 0.002 | 0.0067 | 0.0221 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0442 | 0.0627 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.002 | 0.0067 | 0.0084 |
| Onchocerca volvulus | 0.0031 | 0.0277 | 0.057 | |
| Giardia lamblia | Prolyl-tRNA synthetase | 0.0038 | 0.0418 | 0.5461 |
| Entamoeba histolytica | prolyl-tRNA synthetase, putative | 0.0038 | 0.0418 | 0.9356 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.0031 | 0.0044 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.2117 | 0.6995 |
| Schistosoma mansoni | hypothetical protein | 0.0035 | 0.036 | 0.1191 |
| Brugia malayi | Pre-SET motif family protein | 0.0213 | 0.3787 | 1 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2A | 0.0039 | 0.0442 | 0.0631 |
| Entamoeba histolytica | ubiquitin carboxyl-terminal hydrolase domain containing protein | 0.0038 | 0.0418 | 0.9356 |
| Schistosoma mansoni | axis inhibition protein axin | 0.002 | 0.0067 | 0.0221 |
| Plasmodium falciparum | calcium-dependent protein kinase 1 | 0.0039 | 0.0442 | 0.0413 |
| Chlamydia trachomatis | lysine--tRNA ligase | 0.0028 | 0.0231 | 0.5 |
| Plasmodium vivax | calcium-dependent protein kinase, putative | 0.0039 | 0.0442 | 0.0413 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.2117 | 0.3007 |
| Entamoeba histolytica | hypothetical protein | 0.0028 | 0.0231 | 0.4383 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.002 | 0.0067 | 0.0084 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) | 0.0024 | 0.015 | 0.1391 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.0031 | 0.0044 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Plasmodium vivax | multidomain scavenger receptor, putative | 0.002 | 0.0078 | 0.0047 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0418 | 0.1103 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0051 | 0.0671 | 0.1772 |
| Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0062 | 0.0885 | 1 |
| Echinococcus multilocularis | regulator of G protein signaling | 0.002 | 0.0067 | 0.0095 |
| Trypanosoma cruzi | hexose transporter | 0.0039 | 0.0442 | 0.5808 |
| Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0031 | 0.0277 | 0.0916 |
| Echinococcus granulosus | Sugar transporter ERD6 protein | 0.0018 | 0.0031 | 0.0044 |
| Echinococcus granulosus | expressed protein | 0.0382 | 0.7039 | 1 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0538 | 0.5941 |
| Brugia malayi | Major Facilitator Superfamily protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus granulosus | Polycystic kidney disease protein | 0.002 | 0.0078 | 0.011 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0231 | 0.0764 |
| Toxoplasma gondii | facilitative glucose transporter GT1 | 0.0126 | 0.2117 | 0.3197 |
| Echinococcus multilocularis | histone lysine N methyltransferase SETMAR | 0.0031 | 0.0277 | 0.0394 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0442 | 0.146 |
| Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.036 | 0.0952 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0538 | 0.5941 |
| Trichomonas vaginalis | prolyl-tRNA synthetase, putative | 0.0038 | 0.0418 | 0.0895 |
| Brugia malayi | PXA domain containing protein | 0.002 | 0.0067 | 0.0177 |
| Loa Loa (eye worm) | PXA domain-containing protein | 0.002 | 0.0067 | 0.0177 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.2117 | 0.3007 |
| Plasmodium vivax | calcium-dependent protein kinase 1, putative | 0.0039 | 0.0442 | 0.0413 |
| Loa Loa (eye worm) | CAMK/CAMK2 protein kinase | 0.0039 | 0.0442 | 0.1166 |
| Plasmodium falciparum | lysine--tRNA ligase | 0.0028 | 0.0231 | 0.0201 |
| Schistosoma mansoni | regulator of G protein signaling 17 19 20 (rgs17 19 20) | 0.002 | 0.0067 | 0.0221 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0418 | 0.1103 |
| Loa Loa (eye worm) | calcium/calmodulin-dependent protein kinase ID | 0.0039 | 0.0442 | 0.1166 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0442 | 0.1166 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0442 | 0.0952 |
| Trypanosoma brucei | glucose transporter 1E | 0.0039 | 0.0442 | 0.5808 |
| Schistosoma mansoni | regulator of G protein signaling | 0.002 | 0.0067 | 0.0221 |
| Echinococcus granulosus | histone lysine methyltransferase setb | 0.0031 | 0.0277 | 0.0394 |
| Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0038 | 0.0418 | 0.0895 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0023 | 0.0122 | 0.0404 |
| Plasmodium falciparum | calcium-dependent protein kinase 3 | 0.0039 | 0.0442 | 0.0413 |
| Brugia malayi | MAP kinase sur-1 | 0.0055 | 0.0739 | 0.1952 |
| Leishmania major | glucose transporter, lmgt3 | 0.0039 | 0.0442 | 0.4816 |
| Toxoplasma gondii | histone lysine methyltransferase SET/SUV39 | 0.0031 | 0.0277 | 0.0378 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0055 | 0.0739 | 0.105 |
| Schistosoma mansoni | histone-lysine n-methyltransferase suv9 | 0.0031 | 0.0277 | 0.0916 |
| Brugia malayi | PXA domain containing protein | 0.002 | 0.0067 | 0.0177 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.002 | 0.0067 | 0.0084 |
| Schistosoma mansoni | ubiquitin-specific peptidase 2 (C19 family) | 0.0038 | 0.0418 | 0.138 |
| Schistosoma mansoni | aldehyde dehydrogenase | 0.0062 | 0.0885 | 0.2925 |
| Echinococcus multilocularis | arachidonate 5 lipoxygenase | 0.0057 | 0.0776 | 0.1103 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus multilocularis | solute carrier family 22 | 0.0018 | 0.0031 | 0.0044 |
| Echinococcus granulosus | RUN | 0.002 | 0.0078 | 0.011 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.0031 | 0.0081 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Loa Loa (eye worm) | hypothetical protein | 0.0031 | 0.0277 | 0.0732 |
| Brugia malayi | Regulator of G protein signaling domain containing protein | 0.002 | 0.0067 | 0.0177 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Echinococcus multilocularis | axis inhibition protein axin | 0.002 | 0.0067 | 0.0095 |
| Echinococcus multilocularis | lipoxygenase domain containing protein | 0.002 | 0.0078 | 0.011 |
| Echinococcus multilocularis | lysyl tRNA synthetase | 0.0028 | 0.0231 | 0.0328 |
| Schistosoma mansoni | lipoxygenase | 0.002 | 0.0078 | 0.0257 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.0031 | 0.0044 |
| Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.0213 | 0.3787 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0442 | 1 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0442 | 0.5808 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 2 LysX | 0.0024 | 0.015 | 0.1391 |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0231 | 0.2347 |
| Loa Loa (eye worm) | sugar transporter | 0.0126 | 0.2117 | 0.5588 |
| Plasmodium vivax | CDK-related protein kinase 6, putative | 0.0536 | 1 | 1 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.0418 | 0.138 |
| Trichomonas vaginalis | regulator of G protein signaling 5, rgs5, putative | 0.002 | 0.0067 | 0.0084 |
| Plasmodium vivax | mitogen-activated protein kinase 2, putative | 0.0204 | 0.3621 | 0.3601 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0067 | 0.0177 |
| Echinococcus multilocularis | regulator of G protein signaling 3 | 0.002 | 0.0067 | 0.0095 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0055 | 0.0739 | 0.105 |
| Plasmodium falciparum | hexose transporter | 0.0126 | 0.2117 | 0.2092 |
| Trypanosoma cruzi | lysyl-tRNA synthetase, putative | 0.0028 | 0.0231 | 0.283 |
| Toxoplasma gondii | prolyl-tRNA synthetase (ProRS) | 0.0044 | 0.0538 | 0.0778 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0031 | 0.0081 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0442 | 0.146 |
| Echinococcus granulosus | regulator of G protein signaling 7 | 0.002 | 0.0067 | 0.0095 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0055 | 0.0739 | 1 |
| Echinococcus multilocularis | regulator of G protein signaling 7 | 0.002 | 0.0067 | 0.0095 |
| Echinococcus granulosus | ubiquitin carboxyl terminal hydrolase 8 | 0.0038 | 0.0418 | 0.0593 |
| Brugia malayi | A-kinase anchor protein 10, precursor | 0.002 | 0.0067 | 0.0177 |
| Onchocerca volvulus | 0.0051 | 0.0663 | 0.1463 | |
| Trichomonas vaginalis | conserved hypothetical protein | 0.002 | 0.0067 | 0.0084 |
| Onchocerca volvulus | 0.002 | 0.0078 | 0.0109 | |
| Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0038 | 0.0418 | 0.5461 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.0031 | 0.0101 |
| Schistosoma mansoni | sugar transporter | 0.0018 | 0.0031 | 0.0101 |
| Echinococcus granulosus | geminin | 0.0173 | 0.3026 | 0.4299 |
| Echinococcus granulosus | Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 | 0.0038 | 0.0418 | 0.0593 |
| Echinococcus granulosus | ubiquitin specific protease 41 | 0.0038 | 0.0418 | 0.0593 |
| Echinococcus granulosus | solute carrier family 22 | 0.0018 | 0.0031 | 0.0044 |
| Giardia lamblia | Lysyl-tRNA synthetase | 0.0028 | 0.0231 | 0.283 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0021 | 0.0101 | 0.0991 |
| Brugia malayi | Sugar transporter family protein | 0.0018 | 0.0031 | 0.0081 |
| Trichomonas vaginalis | lysyl-tRNA synthetase, putative | 0.0025 | 0.0164 | 0.0309 |
| Leishmania major | glucose transporter/membrane transporter D2, putative | 0.0039 | 0.0442 | 0.4816 |
| Brugia malayi | Probable G protein-coupled receptor kinase F19C6.1, putative | 0.0023 | 0.0122 | 0.0323 |
| Echinococcus multilocularis | tumor protein p63 | 0.0346 | 0.6343 | 0.9011 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Growth Inhibition (functional) | = 6.9258 % | 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) | = 1328 nM | MMV: IC50 determined against P. falciparum Dd2-luc strain using a Malaria Sybr Green I Fluorescence assay. Starting conditions were 1% trophozoite synchronised parasites at 2% haematocrit. Fluorescence detection completed after 48hr incubation at 37 degrees C under 1% O2, 3% CO2 and balance N2. | ChEMBL. | No reference |
| IC50 (functional) | > 12000 nM | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| IC50 (functional) | > 12000 nM | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| IC50 (functional) | > 12000 nM | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: MAP2K Protein kinase inhibition assay using recombinant PfMAP2K, protein substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 0.5 mM DTT, 1 mM MgCl2, 0.5 mg/mL BSA, and 10 ug/ml MAP2 in a buffer of 50 mM HEPES (pH 7.0). 0.5 mg/mL histone III-S served as the substrate (13); 100 uM AMP-PNP, an ATP analog, was used as a control inhibitor. Incubation time was 4 hours. | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: PK6 Protein kinase inhibition assay using recombinant PfPK6, Myelin Basic Protein (MBP) substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1.5 uM ATP, 5 mM MnCl2, and 15 ug/ml PK6 in a buffer of 100 mM Tris-HCl (pH 7.5). 50 ug/mL MBP was provided as the substrate; 10 uM staurosporine was used as a control inhibitor. Incubation time was 3 hours and 40 minutes.The catalytic activity of each kinase was considered proportional to ATP consumed, as determined from measurements of residual [ATP] with the luciferase-based reagent Kinase-Glo (Promega) following incubation. Luminescence (proportional to residual [ATP]) was measured on the plate readers FLx800 (BioTek Instruments, Winooski, VT, USA) and MicroBeta2. | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: CDPK1 Protein kinase inhibition assay using recombinant PfCDPK1, syntide 2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: PK7 Protein kinase inhibition assay using recombinant PfPK7, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 2 mM DTT, 20 mM MgCl2, 2 mM MnCl2, 0.01% BSA, and 6 ug/ml PK7, in a buffer of 20 mM Tris-HCl (pH 7.5). The enzyme itself was the only substrate present (since autophosphorylation occurs); 100 uM 1NA-PP1 was used as a control inhibitor. Incubation time was 3 hours. | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: CDPK4 Protein kinase inhibition assay using recombinant PfCDPK4, syntide2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. | ChEMBL. | No reference |
| IC50 (functional) | > 2.5 uM | MMV: ProRS recombinant Plasmodium falciparum Prolyl-tRNA-synthetase, assay with yeast tRNA, ATP, and proline and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition. | ChEMBL. | No reference |
| IC50 (functional) | > 2.5 uM | MMV: KRS recombinant Plasmodium falciparum Lysyl-tRNA-synthetase, assay with yeast tRNA, ATP, and lysine and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition. | ChEMBL. | No reference |
| IC50 (functional) | > 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 |
| IC50 (functional) | > 32 uM | MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (HAT in vitro). | ChEMBL. | No reference |
| Inhibition (functional) | = -15.7452350145111 % | 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) | = -15.74523501451106 % | 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) | = -4 % | 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) | = 1.03 % | 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) | = 1.34 % | 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) | = 4 % | 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) | = 4 % | GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM | ChEMBL. | 20485427 |
| Inhibition (functional) | = 4.3 % | 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) | = 9.93 % | MMV: Screen against Mtb, single point, replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 12.0040795480486 % | 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) | = 15.7 % | MMV: Screen against Mtb, single point, non replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 18.11572081167549 % | 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) | = 18.1157208116755 % | 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) | = 23.523851595361762 % | 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) | = 23.5238515953618 % | 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) | = 41 % | GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. | ChEMBL. | 20485427 |
| Inhibition (functional) | = 63 % | 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) | = 98 % | GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM | ChEMBL. | 20485427 |
| Inhibition frequency index (IFI) (functional) | = 1.03 | Inhibition Frequency Index (IFI) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 4 % | Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 41 % | Percent inhibition of HepG2 growth (at 10 uM) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 63 % | Percent inhibition of P. falciparum Dd2 growth (at 2 uM) | GSK. | 20485427 |
| Percent growth inhibition (functional) | = 98 % | Percent inhibition of P. falciparum 3D7 growth (at 2 uM) | GSK. | 20485427 |
| Ratio (functional) | = 0.9 | 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) | = -0.028 | 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) | = 0.0561 | 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) | = 0.1832 | 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 |
| XC50 (functional) | = 6.06 | XC50 determination of P. falciparum 3D7 growth | GSK. | 20485427 |
| XC50 (functional) | = 0.87582 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 |
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: CHEMBL586442
- Search by GSK
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.