Detailed information for compound 336160
Basic information
Technical information
- TDR Targets ID: 336160
- Name: 1-[[3-[3-[(4-anilinoquinolin-1-ium-1-yl)methy l]phenyl]phenyl]methyl]-N-phenylquinolin-1-iu m-4-amine dibromide
- MW: 780.591 | Formula: C44H36Br2N4
-
H donors: 2
H acceptors: 0
LogP: 12.56
Rotable bonds: 9
Rule of 5 violations (Lipinski): 2 - SMILES: c1ccc(cc1)Nc1cc[n+](c2c1cccc2)Cc1cccc(c1)c1cccc(c1)C[n+]1ccc(c2c1cccc2)Nc1ccccc1.[Br-].[Br-]
- InChi: 1S/C44H34N4.2BrH/c1-3-17-37(18-4-1)45-41-25-27-47(43-23-9-7-21-39(41)43)31-33-13-11-15-35(29-33)36-16-12-14-34(30-36)32-48-28-26-42(40-22-8-10-24-44(40)48)46-38-19-5-2-6-20-38;;/h1-30H,31-32H2;2*1H
- InChiKey: NMEJQPQWPYEKSR-UHFFFAOYSA-N
Network
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Synonyms
- 1-[[3-[3-[(4-anilinoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-N-phenyl-quinolin-1-ium-4-amine dibromide
- 1-[[3-[3-[(4-anilino-1-quinolin-1-iumyl)methyl]phenyl]phenyl]methyl]-N-phenyl-4-quinolin-1-iumamine dibromide
- N-phenyl-1-[[3-[3-[(4-phenylazanylquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine dibromide
- [1-[3-[3-[(4-anilinoquinolin-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 granulosus | tm gpcr rhodopsin | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | G-protein coupled receptor, putative | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | growth hormone secretagogue receptor type 1 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 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 | G protein coupled 5 hydroxytryptamine receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Schistosoma mansoni | ancient conserved domain protein 2 (cyclin m2) | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0088 | 1 | 1 |
| Brugia malayi | GnHR receptor homolog | 0.0088 | 1 | 1 |
| Plasmodium falciparum | choline kinase | 0.0049 | 0.4622 | 0.5 |
| Schistosoma mansoni | peptide (allatostatin)-like receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | orexin receptor type 2 | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | muscarinic acetylcholine (GAR) receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 2 | 0.0088 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/neurokinin-3)-like receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | thyrotropin-releasing hormone receptor | 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) | neuropeptide F receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0088 | 1 | 1 |
| Echinococcus granulosus | sex peptide receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 1 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide FF receptor 2 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g-protein coupled receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | alpha 1A adrenergic receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | G-protein-linked acetylcholine receptor protein 2 | 0.0088 | 1 | 1 |
| Echinococcus granulosus | allatostatin A receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0088 | 1 | 1 |
| Brugia malayi | Dopamine receptor protein 1, putative (partial) | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Loa Loa (eye worm) | 5-hydroxytryptamine 2C receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 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 |
| Brugia malayi | putative neuropeptide receptor NPR1 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | 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 | orexin receptor type 2 | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | somatostatin receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | choline/ethanolamine kinase | 0.0049 | 0.4622 | 0.4622 |
| Echinococcus granulosus | 7tm_1 domain containing protein | 0.0088 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | 7TM GPCR, rhodopsin | 0.0088 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Schistosoma mansoni | neuropeptide receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | TYRA-2 protein | 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 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 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 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 | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | g-protein coupled receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus granulosus | fmrfamide receptor | 0.0088 | 1 | 1 |
| Toxoplasma gondii | phosphotransferase enzyme family protein | 0.0049 | 0.4622 | 0.5 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0088 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | alpha-1 adrenergic receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Plasmodium vivax | choline kinase, putative | 0.0049 | 0.4622 | 0.5 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0088 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled receptor 139 | 0.0088 | 1 | 1 |
| Schistosoma mansoni | histamine-responsive GPCR (AAF21638) | 0.0088 | 1 | 1 |
| Brugia malayi | RE15519p | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor F59B2.13 | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | peptide (allatostatin:somatostatin) | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | allatostatin A receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | unidentified vitellogenin-linked transcript protein 6 | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | serotonin receptor | 0.0088 | 1 | 1 |
| Brugia malayi | follicle stimulating hormone 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 | choline:ethanolamine kinase | 0.0049 | 0.4622 | 0.4622 |
| Echinococcus multilocularis | thyrotropin releasing hormone receptor | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | histamine h1 receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Dopamine receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | Melatonin receptor type 1A | 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 |
| Echinococcus granulosus | somatostatin receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | tachykinin peptides receptor 99D | 0.0088 | 1 | 1 |
| Schistosoma mansoni | adenoreceptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0088 | 1 | 1 |
| Brugia malayi | ORL1-like opioid receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Brugia malayi | Unidentified vitellogenin-linked transcript protein 6, putative | 0.0088 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | neuropeptide FF receptor 2 | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus granulosus | tachykinin peptides receptor 99D | 0.0088 | 1 | 1 |
| Echinococcus granulosus | 7TM GPCR rhodopsin | 0.0088 | 1 | 1 |
| Brugia malayi | sulfakinin receptor protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0088 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | thyrotropin releasing hormone receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Brugia malayi | Choline/ethanolamine kinase family protein | 0.0049 | 0.4622 | 0.4622 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide f receptor 76f | 0.0088 | 1 | 1 |
| Echinococcus granulosus | dro:myosuppressin receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Schistosoma mansoni | growth hormone secretagogue receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | myosin xvIII | 0.0088 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor | 0.0088 | 1 | 1 |
| Onchocerca volvulus | Neuropeptide F receptor homolog | 0.0088 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | peptide (allatostatin/somatostatin)-like receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | sex peptide receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | growth hormone secretagogue receptor type 1 | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | alpha 1A adrenergic receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled 5 hydroxytryptamine receptor | 0.0088 | 1 | 1 |
| Brugia malayi | larval opioid receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | dro:myosuppressin receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus multilocularis | choline:ethanolamine kinase | 0.0049 | 0.4622 | 0.4622 |
| Echinococcus granulosus | peptide allatostatin:somatostatin | 0.0088 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0088 | 1 | 1 |
| Schistosoma mansoni | biogenic amine receptor | 0.0088 | 1 | 1 |
| Echinococcus multilocularis | pyroglutamylated rfamide peptide receptor | 0.0088 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0088 | 1 | 1 |
| Brugia malayi | AKH receptor | 0.0088 | 1 | 1 |
| Brugia malayi | 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) | G-protein coupled receptor | 0.0088 | 1 | 1 |
| Brugia malayi | gonadotropin-releasing hormone receptor 2 | 0.0088 | 1 | 1 |
| Onchocerca volvulus | 0.0088 | 1 | 1 | |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0088 | 1 | 1 |
| Echinococcus granulosus | pyroglutamylated rfamide peptide receptor | 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 | biogenic amine (dopamine) 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 |
| Schistosoma mansoni | opsin-like receptor | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0088 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0088 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 1.3 uM | Ex vivo inhibitory concentration against human choline kinase | ChEMBL. | 15857141 |
| IC50 (binding) | = 1.3 uM | Ex vivo inhibitory concentration against human choline kinase | ChEMBL. | 15857141 |
| IC50 (functional) | = 1.6 uM | In vitro antiproliferative effect of the compound in ras-transformed HT 29 cells | ChEMBL. | 15857141 |
| IC50 (functional) | = 1.6 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: CHEMBL191873
- PubChem: 11228087
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.