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Name | CHEMBL92965 |
---|---|
Molecular formula | C27H25NO4S |
IUPAC name | 4-(2-methylphenyl)-4-[2-pyridin-2-yl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid |
Molecular weight | 459.56 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.4 |
Synonyms | 4-[2-(2-Pyridyl)-5-(3-thienylmethoxy)phenoxy]-4-(2-methylphenyl)butyric acid BDBM50065520 SCHEMBL7907773 4-[2-Pyridin-2-yl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid |
Inchi Key | BRFPHZRJHAJJMA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H25NO4S/c1-19-6-2-3-7-22(19)25(11-12-27(29)30)32-26-16-21(31-17-20-13-15-33-18-20)9-10-23(26)24-8-4-5-14-28-24/h2-10,13-16,18,25H,11-12,17H2,1H3,(H,29,30) |
PubChem CID | 10504148 |
ChEMBL | CHEMBL92965 |
IUPHAR | N/A |
BindingDB | 50065520 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
30944 | Endothelin receptor type B | P21451 | Ednrb | Rattus norvegicus (Rat) | 442 |
30945 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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