Detailed information for compound 200980
Basic information
Technical information
- TDR Targets ID: 200980
- Name: 3-[3-[3-(benzenesulfonyl)propyl]-5-(pyridin-3 -ylmethyl)phenyl]propanoic acid
- MW: 423.525 | Formula: C24H25NO4S
-
H donors: 1
H acceptors: 5
LogP: 4.08
Rotable bonds: 10
Rule of 5 violations (Lipinski): 1 - SMILES: OC(=O)CCc1cc(CCCS(=O)(=O)c2ccccc2)cc(c1)Cc1cccnc1
- InChi: 1S/C24H25NO4S/c26-24(27)11-10-20-14-19(15-22(16-20)17-21-6-4-12-25-18-21)7-5-13-30(28,29)23-8-2-1-3-9-23/h1-4,6,8-9,12,14-16,18H,5,7,10-11,13,17H2,(H,26,27)
- InChiKey: PMUJFGJBZSERNP-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 3-[3-[3-(benzenesulfonyl)propyl]-5-(3-pyridylmethyl)phenyl]propanoic acid
- 3-[3-[3-(phenylsulfonyl)propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
- 3-[3-(3-besylpropyl)-5-(3-pyridylmethyl)phenyl]propionic acid
- 3-[3-(3-phenylsulfonylpropyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
- 3-[3-(3-phenylsulfonylpropyl)-5-(3-pyridylmethyl)phenyl]propanoic acid
- 3-[3-(3-phenylsulfonylpropyl)-5-(3-pyridylmethyl)phenyl]propionic acid
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | thromboxane A synthase 1 (platelet) | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Trypanosoma brucei | cytochrome P450, putative | thromboxane A synthase 1 (platelet) | 534 aa | 498 aa | 21.5 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | Tachykinin-like peptides receptor 99D | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | g-protein coupled receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | G-protein-linked acetylcholine receptor protein 2 | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | nmda type glutamate receptor | 0.0103 | 0.7089 | 0.7089 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | opsin-like receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | ancient conserved domain protein 2 (cyclin m2) | 0.0135 | 1 | 1 |
| Brugia malayi | G-protein coupled receptor | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | neuropeptide receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0135 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | allatostatin A receptor | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Schistosoma mansoni | amine GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | myosin xvIII | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Echinococcus multilocularis | neuropeptide s receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Brugia malayi | hypothetical protein | 0.0135 | 1 | 0.5 |
| Brugia malayi | Dopamine receptor protein 2 | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | neuropeptide receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0135 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | peptide (allatostatin/somatostatin)-like receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Brugia malayi | ORL1-like opioid receptor | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | neuropeptide receptor | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Echinococcus multilocularis | neuropeptide FF receptor 2 | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | unidentified vitellogenin-linked transcript protein 6 | 0.0135 | 1 | 0.5 |
| Brugia malayi | Melatonin receptor type 1A | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | biogenic amine receptor | 0.0135 | 1 | 1 |
| Brugia malayi | gonadotropin-releasing hormone receptor 2 | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | peptide allatostatin:somatostatin | 0.0135 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | G-protein coupled receptor, putative | 0.0135 | 1 | 1 |
| Echinococcus granulosus | allatostatin A receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | neuropeptide f receptor 76f | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | fmrfamide receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | G protein coupled 5 hydroxytryptamine receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | glutamate receptor NMDA | 0.0077 | 0.471 | 0.471 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | histamine h1 receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | serotonin receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | g protein linked acetylcholine receptor gar 2a | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0135 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0135 | 1 | 1 |
| Echinococcus granulosus | G protein coupled receptor 139 | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | neuropeptide receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Echinococcus multilocularis | serotonin receptor | 0.0135 | 1 | 1 |
| Brugia malayi | sulfakinin receptor protein | 0.0135 | 1 | 0.5 |
| Brugia malayi | Dopamine receptor | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Brugia malayi | larval opioid receptor | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | biogenic amine receptor | 0.0135 | 1 | 1 |
| Brugia malayi | Unidentified vitellogenin-linked transcript protein 6, putative | 0.0135 | 1 | 0.5 |
| Brugia malayi | follicle stimulating hormone receptor | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | pyroglutamylated rfamide peptide receptor | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0135 | 1 | 1 |
| Brugia malayi | Serotonin receptor | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | neuropeptide receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/neurokinin-3)-like receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | thyrotropin-releasing hormone receptor | 0.0135 | 1 | 1 |
| Brugia malayi | RE15519p | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | sex peptide receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | nmda type glutamate receptor | 0.0081 | 0.5052 | 0.5052 |
| Schistosoma mansoni | amine GPCR | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Echinococcus multilocularis | fmrfamide receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | sex peptide receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | peptide (allatostatin)-like receptor | 0.0135 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor | 0.0135 | 1 | 0.5 |
| Brugia malayi | G-protein coupled receptor | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | g protein linked acetylcholine receptor gar 2a | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Echinococcus granulosus | dro:myosuppressin receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0135 | 1 | 1 |
| Schistosoma mansoni | histamine-responsive GPCR (AAF21638) | 0.0135 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (octopamine/dopamine) receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0135 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | 5-hydroxytryptamine 2C receptor | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | pyroglutamylated rfamide peptide receptor | 0.0135 | 1 | 1 |
| Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | tachykinin peptides receptor 99D | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | somatostatin receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Echinococcus granulosus | alpha 1A adrenergic receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | neuropeptides capa receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide Y receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | dro:myosuppressin receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | muscarinic acetylcholine (GAR) receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | growth hormone secretagogue receptor type 1 | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled receptor 139 | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Brugia malayi | Dopamine receptor protein 1 | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | neuropeptide FF receptor 2 | 0.0135 | 1 | 1 |
| Echinococcus granulosus | neuropeptides capa receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | peptide (allatostatin:somatostatin) | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | tachykinin peptides receptor 99D | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (dopamine) receptor | 0.0135 | 1 | 1 |
| Brugia malayi | GnHR receptor homolog | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | somatostatin receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | G-protein coupled receptor | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | fmrfamide receptor | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Brugia malayi | AKH receptor | 0.0135 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0135 | 1 | 0.5 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Echinococcus granulosus | 7TM GPCR rhodopsin | 0.0135 | 1 | 1 |
| Echinococcus granulosus | neuropeptide Y receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0135 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0135 | 1 | 0.5 |
| Brugia malayi | Dopamine receptor protein 1, putative (partial) | 0.0135 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | adenoreceptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | neuropeptide F receptor | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | neuropeptide F-like receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor | 0.0135 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | biogenic amine receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | peptide (FMRFamide/somatostatin)-like receptor | 0.0135 | 1 | 1 |
| Brugia malayi | G-protein-linked acetylcholine receptor protein 2, putative | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | g protein coupled receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | opsin-like receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | g-protein coupled receptor | 0.0135 | 1 | 1 |
| Brugia malayi | putative neuropeptide receptor NPR1 | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | tm gpcr rhodopsin gpcr rhodopsin superfamily | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | 7TM GPCR, rhodopsin | 0.0135 | 1 | 1 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0135 | 1 | 1 |
| Echinococcus granulosus | 7tm_1 domain containing protein | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | orexin receptor type 2 | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Brugia malayi | putative neuropeptide receptor | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Onchocerca volvulus | Neuropeptide F receptor homolog | 0.0135 | 1 | 0.5 |
| Brugia malayi | Serotonin receptor | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | nmda type glutamate receptor | 0.0103 | 0.7089 | 0.4497 |
| Schistosoma mansoni | amine GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | amine GPCR | 0.0135 | 1 | 1 |
| Brugia malayi | neuropeptide F receptor | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | tm gpcr rhodopsin | 0.0135 | 1 | 1 |
| Schistosoma mansoni | growth hormone secretagogue receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | serotonin receptor | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled 5 hydroxytryptamine receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | g protein coupled receptor | 0.0135 | 1 | 1 |
| Brugia malayi | G protein-coupled receptor F59B2.13 | 0.0135 | 1 | 0.5 |
| Echinococcus multilocularis | thyrotropin releasing hormone receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0135 | 1 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0135 | 1 | 1 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Brugia malayi | neuropeptide F receptor | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | growth hormone secretagogue receptor type 1 | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Loa Loa (eye worm) | melatonin receptor type 1A | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | nmda type glutamate receptor | 0.0081 | 0.5052 | 0.0647 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0135 | 1 | 1 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Brugia malayi | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Onchocerca volvulus | 0.0135 | 1 | 0.5 | |
| Echinococcus multilocularis | alpha 1A adrenergic receptor | 0.0135 | 1 | 1 |
| Echinococcus granulosus | orexin receptor type 2 | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | gonadotropin-releasing hormone receptor 2 | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0135 | 1 | 0.5 |
| Echinococcus granulosus | thyrotropin releasing hormone receptor | 0.0135 | 1 | 1 |
| Loa Loa (eye worm) | TYRA-2 protein | 0.0135 | 1 | 0.5 |
| Schistosoma mansoni | rhodopsin-like orphan GPCR | 0.0135 | 1 | 1 |
| Echinococcus granulosus | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Echinococcus multilocularis | rhodopsin orphan GPCR | 0.0135 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0135 | 1 | 1 |
| Schistosoma mansoni | alpha-1 adrenergic receptor | 0.0135 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.027 uM | Activity against human platelet microsome Thromboxane synthase | ChEMBL. | 9341919 |
| IC50 (binding) | = 0.027 uM | Activity against human platelet microsome Thromboxane synthase | ChEMBL. | 9341919 |
| pA2 (functional) | = 7.8 nM | Antagonist activity against TXA2 receptor measured by inhibition of U-46,619-induced contractions of rat aorta | ChEMBL. | 9341919 |
| pA2 (functional) | = 7.8 nM | Antagonist activity against TXA2 receptor measured by inhibition of U-46,619-induced contractions of rat aorta | ChEMBL. | 9341919 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
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External resources for this compound
- ChEMBL: CHEMBL114063
- PubChem: 11796543
Bibliographic References
1 literature reference was collected for this gene.
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