Detailed information for compound 1501359
Basic information
Technical information
- Name: Unnamed compound
- MW: 346.419 | Formula: C23H22O3
-
H donors: 1
H acceptors: 2
LogP: 5.14
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: OC(=O)CCc1ccc(cc1)OCc1cccc(c1)c1cccc(c1)C
- InChi: 1S/C23H22O3/c1-17-4-2-6-20(14-17)21-7-3-5-19(15-21)16-26-22-11-8-18(9-12-22)10-13-23(24)25/h2-9,11-12,14-15H,10,13,16H2,1H3,(H,24,25)
- InChiKey: CORIYVIBVYLGKQ-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | free fatty acid receptor 1 | 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
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | neuropeptide s receptor | 0.0485 | 0.2864 | 0.2864 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0047 | 0.0058 | 0.0058 |
| Schistosoma mansoni | CD36-like class B scavenger receptor | 0.1597 | 1 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0047 | 0.0058 | 0.0058 |
| Echinococcus granulosus | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0051 | 0.0085 | 0.0085 |
| Schistosoma mansoni | cd36 antigen | 0.0603 | 0.3625 | 0.3625 |
| Loa Loa (eye worm) | hypothetical protein | 0.0603 | 0.3625 | 0.3588 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0047 | 0.0058 | 0.0058 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0047 | 0.0058 | 0.0058 |
| Loa Loa (eye worm) | follicle stimulating hormone receptor | 0.0491 | 0.2908 | 0.2867 |
| Brugia malayi | hypothetical protein | 0.0603 | 0.3625 | 0.3625 |
| Echinococcus granulosus | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0051 | 0.0085 | 0.0085 |
| Entamoeba histolytica | hypothetical protein | 0.0038 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0603 | 0.3625 | 0.3588 |
| Schistosoma mansoni | CD36-like class B scavenger receptor | 0.1597 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0038 | 0 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0038 | 0 | 0.5 |
| Onchocerca volvulus | Lysosome membrane protein 2 homolog | 0.1597 | 1 | 0.5 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0047 | 0.0058 | 0.0058 |
| Echinococcus multilocularis | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Echinococcus granulosus | lysosome membrane protein 2 | 0.1597 | 1 | 1 |
| Echinococcus multilocularis | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Echinococcus multilocularis | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Echinococcus granulosus | neuropeptide s receptor | 0.0485 | 0.2864 | 0.2864 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0047 | 0.0058 | 0.0058 |
| Echinococcus granulosus | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1597 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1597 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.1597 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0051 | 0.0085 | 0.0027 |
| Echinococcus granulosus | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0051 | 0.0085 | 0.0027 |
| Entamoeba histolytica | hypothetical protein | 0.0038 | 0 | 0.5 |
| Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0237 | 0.1273 | 0.5 |
| Echinococcus multilocularis | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0603 | 0.3625 | 0.3625 |
| Echinococcus granulosus | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Echinococcus multilocularis | CD36 class B scavenger receptor | 0.1597 | 1 | 1 |
| Brugia malayi | follicle stimulating hormone receptor | 0.0491 | 0.2908 | 0.2908 |
| Schistosoma mansoni | scavenger receptor class B type-2 (sr-B2) | 0.1597 | 1 | 1 |
| Echinococcus multilocularis | neuropeptide receptor A26 | 0.0485 | 0.2864 | 0.2864 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0047 | 0.0058 | 0.0058 |
| Echinococcus multilocularis | lysosome membrane protein 2 | 0.1597 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0603 | 0.3625 | 0.3588 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0047 | 0.0058 | 0.0058 |
| Echinococcus granulosus | neuropeptide receptor A26 | 0.0485 | 0.2864 | 0.2864 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 240 nM | Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BSA | ChEMBL. | 21319751 |
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.
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: CHEMBL1688464
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.