Detailed information for compound 1630353
Basic information
Technical information
- TDR Targets ID: 1630353
- Name: 8-chloro-4-(4-methylpiperazin-1-yl)-5H-pyrimi do[5,6-b]indole
- MW: 301.774 | Formula: C15H16ClN5
-
H donors: 1
H acceptors: 2
LogP: 2.65
Rotable bonds: 1
Rule of 5 violations (Lipinski): 1 - SMILES: CN1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Cl
- InChi: 1S/C15H16ClN5/c1-20-4-6-21(7-5-20)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)19-14/h2-3,8-9,19H,4-7H2,1H3
- InChiKey: YVFMXQOVHCJUFX-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 8-chloro-4-(4-methyl-1-piperazinyl)-5H-pyrimido[5,6-b]indole
- STOCK3S-37789
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Plasmodium falciparum | lysine--tRNA ligase | Starlite/ChEMBL | No references |
| Plasmodium falciparum | hexose transporter | Starlite/ChEMBL | No references |
| Plasmodium falciparum (isolate 3D7) | Calcium-dependent protein kinase 4 | Starlite/ChEMBL | No references |
| Plasmodium falciparum (isolate 3D7) | Proline--tRNA ligase | Starlite/ChEMBL | No references |
| Plasmodium falciparum | calcium-dependent protein kinase 1 | Starlite/ChEMBL | No references |
| Leishmania mexicana | glucose transporter, lmgt2 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | protein kinase 7 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | protein kinase 6 | Starlite/ChEMBL | No references |
| Homo sapiens | solute carrier family 2 (facilitated glucose transporter), member 1 | Starlite/ChEMBL | No references |
| Plasmodium falciparum | mitogen-activated protein kinase 2 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | G protein coupled 5 hydroxytryptamine receptor | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | ancient conserved domain protein 2 (cyclin m2) | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | lysyl tRNA synthetase | 0.0028 | 0.0283 | 0.0346 |
| Brugia malayi | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0319 | 0.5849 | 1 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | tachykinin peptides receptor 99D | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | growth hormone secretagogue receptor | 0.0319 | 0.5849 | 1 |
| Brugia malayi | Calcium/calmodulin-dependent protein kinase type II alpha chain | 0.0039 | 0.0484 | 0.0694 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | TYRA-2 protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Echinococcus multilocularis | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.0469 | 0.0668 |
| Leishmania major | lysyl-tRNA synthetase, putative | 0.0028 | 0.0283 | 0.395 |
| Trypanosoma brucei | glucose transporter 1E | 0.0039 | 0.0493 | 0.8107 |
| Brugia malayi | G protein-coupled receptor | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0319 | 0.5849 | 1 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0039 | 0.0484 | 0.1927 |
| Brugia malayi | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Plasmodium vivax | proline--tRNA ligase, putative | 0.0044 | 0.0589 | 0.051 |
| Echinococcus granulosus | glutamyl tRNA synthetase cytoplasmic | 0.0038 | 0.0469 | 0.0668 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/neurokinin-3)-like receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | neuropeptide FF receptor 2 | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0126 | 0.216 | 0.3602 |
| Schistosoma mansoni | peptide (allatostatin)-like receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | 7TM GPCR, rhodopsin | 0.0319 | 0.5849 | 1 |
| Brugia malayi | Tachykinin-like peptides receptor 99D | 0.0319 | 0.5849 | 1 |
| Brugia malayi | putative neuropeptide receptor NPR1 | 0.0319 | 0.5849 | 1 |
| Plasmodium falciparum | calcium-dependent protein kinase 1 | 0.0039 | 0.0484 | 0.0404 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Echinococcus multilocularis | tachykinin peptides receptor 99D | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | sex peptide receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | g-protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | General substrate transporter | 0.0108 | 0.1821 | 0.3013 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0493 | 0.1973 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Echinococcus granulosus | g protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Giardia lamblia | Lysyl-tRNA synthetase | 0.0028 | 0.0283 | 0.5182 |
| Schistosoma mansoni | amine GPCR | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | alpha 1A adrenergic receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0694 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0319 | 0.5849 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Schistosoma mansoni | thyrotropin-releasing hormone receptor | 0.0319 | 0.5849 | 1 |
| Brugia malayi | AKH receptor | 0.0319 | 0.5849 | 1 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Leishmania major | glucose transporter, lmgt1 | 0.0039 | 0.0493 | 0.8107 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | serotonin receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0319 | 0.5849 | 1 |
| Brugia malayi | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.0084 | 0.0073 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.0469 | 0.0668 |
| Brugia malayi | neuropeptide F receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | calcium/calmodulin-dependent protein kinase ID | 0.0039 | 0.0484 | 0.0762 |
| Schistosoma mansoni | glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) | 0.0038 | 0.0469 | 0.0668 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Brugia malayi | bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.0469 | 0.0668 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Brugia malayi | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Brugia malayi | Bifunctional aminoacyl-tRNA synthetase | 0.0038 | 0.0469 | 0.0668 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3602 |
| Toxoplasma gondii | facilitative glucose transporter GT1 | 0.0126 | 0.216 | 0.3201 |
| Brugia malayi | G-protein-linked acetylcholine receptor protein 2, putative | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0484 | 0.0694 |
| Plasmodium vivax | lysine--tRNA ligase, putative | 0.0028 | 0.0283 | 0.0201 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0319 | 0.5849 | 1 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) | 0.0024 | 0.0202 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0319 | 0.5849 | 1 |
| Brugia malayi | ORL1-like opioid receptor | 0.0319 | 0.5849 | 1 |
| Brugia malayi | larval opioid receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0319 | 0.5849 | 1 |
| Plasmodium vivax | CDK-related protein kinase 6, putative | 0.0536 | 1 | 1 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | peptide (allatostatin/somatostatin)-like receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Brugia malayi | Dopamine receptor protein 1, putative (partial) | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | 7tm_1 domain containing protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 0.0346 |
| Brugia malayi | G protein-coupled receptor F59B2.13 | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | G protein coupled receptor 139 | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0469 | 0.0736 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0021 | 0.0154 | 0.1383 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3602 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0031 | 0.0333 | 0.0502 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0694 |
| Loa Loa (eye worm) | unidentified vitellogenin-linked transcript protein 6 | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | 7TM GPCR rhodopsin | 0.0319 | 0.5849 | 1 |
| Plasmodium falciparum | calcium-dependent protein kinase 5 | 0.0039 | 0.0484 | 0.0404 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | General substrate transporter | 0.0108 | 0.1821 | 0.3013 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0469 | 0.0736 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Plasmodium falciparum | calcium-dependent protein kinase 2 | 0.0039 | 0.0484 | 0.0404 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0319 | 0.5849 | 1 |
| Leishmania major | prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Plasmodium vivax | calcium-dependent protein kinase 3, putative | 0.0039 | 0.0484 | 0.0404 |
| Echinococcus multilocularis | solute carrier family 2, facilitated glucose | 0.0126 | 0.216 | 0.3602 |
| Brugia malayi | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | dro:myosuppressin receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0319 | 0.5849 | 1 |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0039 | 0.0484 | 0.0694 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | serotonin receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Brugia malayi | follicle stimulating hormone receptor | 0.0319 | 0.5849 | 1 |
| Leishmania major | glucose transporter, lmgt2 | 0.0039 | 0.0493 | 0.8107 |
| Leishmania major | glucose transporter, lmgt3 | 0.0039 | 0.0493 | 0.8107 |
| Mycobacterium leprae | Possible lysyl-tRNA synthetase 2 LysX | 0.0028 | 0.0283 | 0.3046 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0319 | 0.5849 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0126 | 0.216 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0694 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | alpha-1 adrenergic receptor | 0.0319 | 0.5849 | 1 |
| Toxoplasma gondii | protein kinase, putative | 0.0357 | 0.6571 | 1 |
| Trichomonas vaginalis | sugar transporter, putative | 0.0039 | 0.0493 | 0.1973 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0493 | 0.1973 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | calcium:calmodulin dependent protein kinase type 1 | 0.0039 | 0.0484 | 0.0694 |
| Echinococcus multilocularis | growth hormone secretagogue receptor type 1 | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3602 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0319 | 0.5849 | 1 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | melatonin receptor type 1A | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Leishmania major | glucose transporter/membrane transporter D2, putative | 0.0039 | 0.0493 | 0.8107 |
| Brugia malayi | G-protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Mycobacterium ulcerans | integral membrane transport protein | 0.0018 | 0.0084 | 0.2954 |
| Schistosoma mansoni | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 0.0346 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Chlamydia trachomatis | lysine--tRNA ligase | 0.0028 | 0.0283 | 1 |
| Brugia malayi | Unidentified vitellogenin-linked transcript protein 6, putative | 0.0319 | 0.5849 | 1 |
| Toxoplasma gondii | lysine-tRNA ligase | 0.0028 | 0.0283 | 0.0308 |
| Loa Loa (eye worm) | gonadotropin-releasing hormone receptor 2 | 0.0319 | 0.5849 | 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 | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Schistosoma mansoni | amine GPCR | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | 5-hydroxytryptamine 2C receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | allatostatin A receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | major facilitator superfamily transporter | 0.0018 | 0.0084 | 0.0073 |
| Brugia malayi | Cam kinase protein 1 | 0.0039 | 0.0484 | 0.0694 |
| Echinococcus multilocularis | neuropeptide FF receptor 2 | 0.0319 | 0.5849 | 1 |
| Trypanosoma brucei | calcium/calmodulin-dependent protein kinase, putative | 0.0039 | 0.0484 | 0.7919 |
| Schistosoma mansoni | myosin xvIII | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | allatostatin A receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0319 | 0.5849 | 1 |
| Brugia malayi | putative neuropeptide receptor | 0.0319 | 0.5849 | 1 |
| Brugia malayi | Dopamine receptor protein 2 | 0.0319 | 0.5849 | 1 |
| Mycobacterium tuberculosis | Lysyl-tRNA synthetase 2 LysX | 0.0024 | 0.0202 | 1 |
| Brugia malayi | Dopamine receptor protein 1 | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.216 | 0.3602 |
| 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 | 0.0073 |
| Echinococcus granulosus | orexin receptor type 2 | 0.0319 | 0.5849 | 1 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2B | 0.0039 | 0.0484 | 0.0617 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | muscarinic acetylcholine (GAR) receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | g-protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0694 |
| Schistosoma mansoni | neuropeptide receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0319 | 0.5849 | 1 |
| Brugia malayi | sulfakinin receptor protein | 0.0319 | 0.5849 | 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 |
| Trypanosoma cruzi | lysyl-tRNA synthetase, putative | 0.0028 | 0.0283 | 0.395 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | G-protein coupled receptor, putative | 0.0319 | 0.5849 | 1 |
| Brugia malayi | Melatonin receptor type 1A | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0484 | 0.0694 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Trichomonas vaginalis | lysyl-tRNA synthetase, putative | 0.0025 | 0.0217 | 0.0641 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Wolbachia endosymbiont of Brugia malayi | major facilitator superfamily permease | 0.0018 | 0.0084 | 0.5 |
| Echinococcus granulosus | alpha 1A adrenergic receptor | 0.0319 | 0.5849 | 1 |
| Entamoeba histolytica | prolyl-tRNA synthetase, putative | 0.0038 | 0.0469 | 0.9253 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | G protein coupled 5 hydroxytryptamine receptor | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0319 | 0.5849 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | somatostatin receptor | 0.0319 | 0.5849 | 1 |
| Plasmodium vivax | calcium-dependent protein kinase 4, putative | 0.0039 | 0.0484 | 0.0404 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3602 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | somatostatin receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Brugia malayi | Serotonin receptor | 0.0319 | 0.5849 | 1 |
| Plasmodium falciparum | hexose transporter | 0.0126 | 0.216 | 0.2094 |
| Schistosoma mansoni | opsin-like receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | adenoreceptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0319 | 0.5849 | 1 |
| Brugia malayi | Serotonin receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | sex peptide receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | sugar transporter | 0.0018 | 0.0084 | 0.0073 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.216 | 0.3602 |
| Leishmania major | protein kinase, putative | 0.0039 | 0.0484 | 0.7919 |
| Brugia malayi | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Plasmodium falciparum | proline--tRNA ligase | 0.0044 | 0.0589 | 0.051 |
| Plasmodium vivax | hexose transporter | 0.0126 | 0.216 | 0.2094 |
| Brugia malayi | gonadotropin-releasing hormone receptor 2 | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0283 | 0.0416 |
| Trypanosoma brucei | glucose transporter 2A | 0.0039 | 0.0493 | 0.8107 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3602 |
| Plasmodium vivax | calcium-dependent protein kinase, putative | 0.0039 | 0.0484 | 0.0404 |
| Trypanosoma brucei | THT1 - hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Onchocerca volvulus | Neuropeptide F receptor homolog | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Echinococcus granulosus | neuropeptide receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | thyrotropin releasing hormone receptor | 0.0319 | 0.5849 | 1 |
| Brugia malayi | RE15519p | 0.0319 | 0.5849 | 1 |
| Plasmodium falciparum | calcium-dependent protein kinase 4 | 0.0039 | 0.0484 | 0.0404 |
| Schistosoma mansoni | biogenic amine receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Brugia malayi | neuropeptide F receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | neuropeptide f receptor 76f | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | sugar transporter | 0.0126 | 0.216 | 0.3649 |
| Mycobacterium ulcerans | sugar-transport integral membrane protein SugI | 0.0018 | 0.0084 | 0.2954 |
| Echinococcus granulosus | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0484 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | calcium dependent protein kinase | 0.0036 | 0.0438 | 0.0615 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Brugia malayi | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 0.0346 |
| Treponema pallidum | prolyl-tRNA synthetase | 0.0013 | 0 | 0.5 |
| Echinococcus multilocularis | orexin receptor type 2 | 0.0319 | 0.5849 | 1 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0493 | 0.1973 |
| Trypanosoma brucei | bifunctional aminoacyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Trichomonas vaginalis | glucose transporter, putative | 0.0039 | 0.0493 | 0.1973 |
| Brugia malayi | GnHR receptor homolog | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Mycobacterium leprae | Probable prolyl tRNA synthetase ProS | 0.0038 | 0.0469 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | peptide allatostatin:somatostatin | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0694 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Mycobacterium ulcerans | lysyl-tRNA synthetase | 0.0028 | 0.0283 | 1 |
| Echinococcus multilocularis | pyroglutamylated rfamide peptide receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0319 | 0.5849 | 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 | 0.0319 | 0.5849 | 1 |
| Plasmodium falciparum | mitogen-activated protein kinase 2 | 0.0204 | 0.3649 | 0.3595 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Schistosoma mansoni | amine GPCR | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0319 | 0.5849 | 1 |
| Trypanosoma cruzi | prolyl-tRNA synthetase, putative | 0.0044 | 0.0589 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Echinococcus granulosus | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3602 |
| 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 | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | CAMK/CAMK2 protein kinase | 0.0039 | 0.0484 | 0.0762 |
| Schistosoma mansoni | neuropeptide receptor | 0.0319 | 0.5849 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Trypanosoma brucei | glucose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Plasmodium falciparum | calcium-dependent protein kinase 3 | 0.0039 | 0.0484 | 0.0404 |
| Toxoplasma gondii | prolyl-tRNA synthetase (ProRS) | 0.0044 | 0.0589 | 0.0779 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Trypanosoma cruzi | hexose transporter, putative | 0.0039 | 0.0493 | 0.8107 |
| Echinococcus multilocularis | thyrotropin releasing hormone receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Echinococcus multilocularis | lysyl tRNA synthetase | 0.0028 | 0.0283 | 0.0346 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0319 | 0.5849 | 1 |
| Mycobacterium ulcerans | sugar transporter | 0.0018 | 0.0084 | 0.2954 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Echinococcus multilocularis | dro:myosuppressin receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Loa Loa (eye worm) | G-protein-linked acetylcholine receptor protein 2 | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0694 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0319 | 0.5849 | 1 |
| Brugia malayi | Dopamine receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | peptide (allatostatin:somatostatin) | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | histamine-responsive GPCR (AAF21638) | 0.0319 | 0.5849 | 1 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Echinococcus granulosus | growth hormone secretagogue receptor type 1 | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | G protein coupled receptor 139 | 0.0319 | 0.5849 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0039 | 0.0484 | 1 |
| Brugia malayi | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Brugia malayi | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0484 | 0.0762 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Plasmodium falciparum | protein kinase 7 | 0.0357 | 0.6571 | 0.6542 |
| Echinococcus granulosus | pyroglutamylated rfamide peptide receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | fmrfamide receptor | 0.0319 | 0.5849 | 1 |
| Plasmodium vivax | calcium-dependent protein kinase 1, putative | 0.0039 | 0.0484 | 0.0404 |
| Brugia malayi | Sugar transporter family protein | 0.0126 | 0.216 | 0.3602 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK3 | 0.0039 | 0.0484 | 0.0617 |
| Toxoplasma gondii | calcium-dependent protein kinase CDPK2A | 0.0039 | 0.0484 | 0.0617 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | calcium:calmodulin dependent protein kinase type | 0.0039 | 0.0484 | 0.0694 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | protein kinase | 0.0039 | 0.0484 | 0.0694 |
| Plasmodium vivax | mitogen-activated protein kinase 2, putative | 0.0204 | 0.3649 | 0.3595 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0319 | 0.5849 | 1 |
| Echinococcus multilocularis | solute carrier family 2 facilitated glucose | 0.0126 | 0.216 | 0.3602 |
| Trypanosoma cruzi | hexose transporter | 0.0039 | 0.0493 | 0.8107 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | calcium dependent protein kinase | 0.0036 | 0.0438 | 0.0615 |
| Schistosoma mansoni | histamine h1 receptor | 0.0319 | 0.5849 | 1 |
| Schistosoma mansoni | glucose transport protein | 0.0126 | 0.216 | 0.3602 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0084 | 0.0073 |
| Schistosoma mansoni | opsin-like receptor | 0.0319 | 0.5849 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0319 | 0.5849 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0493 | 0.1973 |
| Onchocerca volvulus | 0.0319 | 0.5849 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0319 | 0.5849 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 1190 nM | MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). | ChEMBL. | No reference |
| Growth Inhibition (functional) | = 7.405 % | 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) | = 1181 nM | MMV: IC50 determined against P. falciparum Dd2-luc strain using a Malaria Sybr Green I Fluorescence assay. Starting conditions were 1% trophozoite synchronised parasites at 2% haematocrit. Fluorescence detection completed after 48hr incubation at 37 degrees C under 1% O2, 3% CO2 and balance N2. | ChEMBL. | No reference |
| IC50 (functional) | > 12000 nM | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| IC50 (functional) | > 12000 nM | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| IC50 (functional) | > 12000 nM | ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: MAP2K Protein kinase inhibition assay using recombinant PfMAP2K, protein substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 0.5 mM DTT, 1 mM MgCl2, 0.5 mg/mL BSA, and 10 ug/ml MAP2 in a buffer of 50 mM HEPES (pH 7.0). 0.5 mg/mL histone III-S served as the substrate (13); 100 uM AMP-PNP, an ATP analog, was used as a control inhibitor. Incubation time was 4 hours. | ChEMBL. | No reference |
| IC50 (functional) | > 1 uM | MMV: 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) | = 11.0160760879517 uM | MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (HAT in vitro). | ChEMBL. | No reference |
| IC50 (functional) | = 14.5956840515137 uM | MMV: Inhibition of Trypanosoma brucei brucei (Squib 427) (HAT in vitro). | ChEMBL. | No reference |
| IC50 (functional) | = 21.53440284729 uM | MMV: Inhibition of Leishmania infantum (MHOM/MA/BE/67) in vitro. | ChEMBL. | No reference |
| IC50 (functional) | = 21.53440284729004 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 (functional) | = 30.8232250213623 uM | MMV: Inhibition of Trypanosoma cruzi (Tulahuen C4 LacZ) (Chagas in vitro). | ChEMBL. | No reference |
| IC50 (functional) | = 30.823225021362305 uM | MMV: Inhibition of Trypanosoma cruzi (Tulahuen C4 LacZ) (Chagas in vitro). | ChEMBL. | No reference |
| IC50 | > 32 uM | MMV: Cytotoxicity against human fibroblasts (MRC-5) cells. | ChEMBL. | No reference |
| Inhibition (functional) | = -51.610805702806 % | 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) | = -3.24779688752371 % | 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) | = -3.247796887523709 % | MMV: P. berghei-infected blood was withdrawn from mice by cardiac pucture before being immediately added to ookinete culture medium containing test compounds. 26 hr later, GFP-positive ookinetes were identified and counted by automated microscopy. All compounds were tested in 4 independent experiments and data presented here is the mean. | ChEMBL. | No reference |
| Inhibition (functional) | = -2.21127904133933 % | 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) | = -2.2112790413393277 % | 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) | = 1.91 % | MMV: Screen against Mtb, single point, non replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 6.75537338979013 % | 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 % | 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) | = 23.9 % | MMV: Screen against Mtb, single point, replicating, at 25uM | ChEMBL. | No reference |
| Inhibition (functional) | = 92 % | 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 |
| Ratio (functional) | = 0.949152542372881 | 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) | = 0.0011 | 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) | = 0.0216 | 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) | = 0.0494 | 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 |
|---|---|---|---|
| Trypanosoma brucei gambiense | |||
| Plasmodium falciparum | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL2028056
Bibliographic References
No literature references available for this target.
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