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Name | SCHEMBL6117861 |
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Molecular formula | C20H15ClN2O3S |
IUPAC name | 6-[(6-chloro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid |
Molecular weight | 398.861 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | US8680120, 25-34 CHEMBL3665570 BDBM119476 |
Inchi Key | RWYDYTGAATYIBK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H15ClN2O3S/c1-26-19-8-13-7-17(12-5-6-27-11-12)23(18(13)9-15(19)21)10-14-3-2-4-16(22-14)20(24)25/h2-9,11H,10H2,1H3,(H,24,25) |
PubChem CID | 69670943 |
ChEMBL | CHEMBL3665570 |
IUPHAR | N/A |
BindingDB | 119476 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
307129 | Prostaglandin E2 receptor EP1 subtype | P70597 | Ptger1 | Rattus norvegicus (Rat) | 405 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417