Detailed information for compound 335701
Basic information
Technical information
- TDR Targets ID: 335701
- Name: N-methyl-1-[[3-[3-[[4-(N-methylanilino)quinol in-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N- phenylquinolin-1-ium-4-amine dibromide
- MW: 808.645 | Formula: C46H40Br2N4
-
H donors: 0
H acceptors: 0
LogP: 12.84
Rotable bonds: 9
Rule of 5 violations (Lipinski): 2 - SMILES: CN(c1cc[n+](c2c1cccc2)Cc1cccc(c1)c1cccc(c1)C[n+]1ccc(c2c1cccc2)N(c1ccccc1)C)c1ccccc1.[Br-].[Br-]
- InChi: 1S/C46H40N4.2BrH/c1-47(39-19-5-3-6-20-39)43-27-29-49(45-25-11-9-23-41(43)45)33-35-15-13-17-37(31-35)38-18-14-16-36(32-38)34-50-30-28-44(42-24-10-12-26-46(42)50)48(2)40-21-7-4-8-22-40;;/h3-32H,33-34H2,1-2H3;2*1H/q+2;;/p-2
- InChiKey: OPXQOMWPDXBRGL-UHFFFAOYSA-L
Network
Hover on a compound node to display the structore
Synonyms
- N-methyl-1-[[3-[3-[[4-(N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenyl-quinolin-1-ium-4-amine dibromide
- N-methyl-1-[[3-[3-[[4-(N-methylanilino)-1-quinolin-1-iumyl]methyl]phenyl]phenyl]methyl]-N-phenyl-4-quinolin-1-iumamine dibromide
- N-methyl-1-[[3-[3-[[4-[methyl(phenyl)amino]quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenyl-quinolin-1-ium-4-amine dibromide
- methyl-[1-[3-[3-[[4-(N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]benzyl]quinolin-1-ium-4-yl]-phenyl-amine dibromide
- N-methyl-1-[[3-[3-[[4-(methyl-phenylamino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenylquinolin-1-ium-4-amine dibromide
- N-methyl-1-[[3-[3-[[4-(methyl-phenyl-amino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenyl-quinolin-1-ium-4-amine dibromide
- N-methyl-1-[[3-[3-[[4-(methyl-phenylamino)-1-quinolin-1-iumyl]methyl]phenyl]phenyl]methyl]-N-phenyl-4-quinolin-1-iumamine dibromide
- methyl-[1-[3-[3-[[4-(methyl-phenyl-amino)quinolin-1-ium-1-yl]methyl]phenyl]benzyl]quinolin-1-ium-4-yl]-phenyl-amine dibromide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | choline kinase alpha | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Trypanosoma brucei | choline/ethanolamine kinase | choline kinase alpha | 457 aa | 474 aa | 22.1 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | peptide (allatostatin:somatostatin) | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | choline/ethanolamine kinase | 0.0049 | 0.4622 | 0.4622 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | pyroglutamylated rfamide peptide receptor | 0.0088 | 1 | 1 |
| Brugia malayi | AKH receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Dopamine receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | serotonin receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | G-protein coupled receptor, putative | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | alpha 1A adrenergic receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Brugia malayi | G-protein-linked acetylcholine receptor protein 2, putative | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | pyroglutamylated rfamide peptide receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled 5 hydroxytryptamine receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | sex peptide receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled receptor 139 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | gonadotropin-releasing hormone receptor 2 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0088 | 1 | 1 |
| Echinococcus granulosus | 7tm_1 domain containing protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | orexin receptor type 2 | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | dro:myosuppressin receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | 7TM GPCR, rhodopsin | 0.0088 | 1 | 1 |
| Schistosoma mansoni | alpha-1 adrenergic receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | ancient conserved domain protein 2 (cyclin m2) | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | melatonin receptor type 1A | 0.0088 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | TYRA-2 protein | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | thyrotropin-releasing hormone receptor | 0.0088 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor F59B2.13 | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0088 | 1 | 1 |
| Toxoplasma gondii | phosphotransferase enzyme family protein | 0.0049 | 0.4622 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g-protein coupled receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Choline/ethanolamine kinase family protein | 0.0049 | 0.4622 | 0.4622 |
| Brugia malayi | Dopamine receptor protein 1 | 0.0088 | 1 | 1 |
| Schistosoma mansoni | myosin xvIII | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | 5-hydroxytryptamine 2C receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | histamine h1 receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | G-protein-linked acetylcholine receptor protein 2 | 0.0088 | 1 | 1 |
| Echinococcus granulosus | 7TM GPCR rhodopsin | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | thyrotropin releasing hormone receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0088 | 1 | 1 |
| Brugia malayi | ORL1-like opioid receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | growth hormone secretagogue receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | dro:myosuppressin receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | tachykinin peptides receptor 99D | 0.0088 | 1 | 1 |
| Echinococcus granulosus | orexin receptor type 2 | 0.0088 | 1 | 1 |
| Plasmodium falciparum | choline kinase | 0.0049 | 0.4622 | 0.5 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Schistosoma mansoni | histamine-responsive GPCR (AAF21638) | 0.0088 | 1 | 1 |
| Brugia malayi | Melatonin receptor type 1A | 0.0088 | 1 | 1 |
| Echinococcus granulosus | peptide allatostatin:somatostatin | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Plasmodium vivax | choline kinase, putative | 0.0049 | 0.4622 | 0.5 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide FF receptor 2 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | Neuropeptide F receptor homolog | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | G protein coupled 5 hydroxytryptamine receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide f receptor 76f | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | somatostatin receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | growth hormone secretagogue receptor type 1 | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | RE15519p | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | gonadotropin-releasing hormone receptor 2 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | choline:ethanolamine kinase | 0.0049 | 0.4622 | 0.4622 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | unidentified vitellogenin-linked transcript protein 6 | 0.0088 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0088 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0088 | 1 | 1 |
| Schistosoma mansoni | muscarinic acetylcholine (GAR) receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | allatostatin A receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Schistosoma mansoni | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptide FF receptor 2 | 0.0088 | 1 | 1 |
| Echinococcus granulosus | sex peptide receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0088 | 1 | 1 |
| Echinococcus granulosus | allatostatin A receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | G protein coupled receptor 139 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0088 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | adenoreceptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | choline:ethanolamine kinase | 0.0049 | 0.4622 | 0.4622 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | alpha 1A adrenergic receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/neurokinin-3)-like receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin/somatostatin)-like receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | somatostatin receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 2 | 0.0088 | 1 | 1 |
| Brugia malayi | sulfakinin receptor protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | tachykinin peptides receptor 99D | 0.0088 | 1 | 1 |
| Echinococcus granulosus | thyrotropin releasing hormone receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0088 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0088 | 1 | 1 |
| Brugia malayi | GnHR receptor homolog | 0.0088 | 1 | 1 |
| Brugia malayi | Tachykinin-like peptides receptor 99D | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | growth hormone secretagogue receptor type 1 | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | follicle stimulating hormone receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | fmrfamide receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 1, putative (partial) | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor NPR1 | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | g-protein coupled receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0088 | 1 | 1 |
| Brugia malayi | larval opioid receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | Unidentified vitellogenin-linked transcript protein 6, putative | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin)-like receptor | 0.0088 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor | 0.0088 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.4 uM | Ex vivo inhibitory concentration against human choline kinase | ChEMBL. | 15857141 |
| IC50 (binding) | = 0.4 uM | Ex vivo inhibitory concentration against human choline kinase | ChEMBL. | 15857141 |
| IC50 (functional) | = 0.8 uM | In vitro antiproliferative effect of the compound in ras-transformed HT 29 cells | ChEMBL. | 15857141 |
| IC50 (functional) | = 0.8 uM | In vitro antiproliferative effect of the compound in ras-transformed HT 29 cells | ChEMBL. | 15857141 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | 15857141 |
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: CHEMBL191595
- PubChem: 11251384
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.