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Name | CHEMBL422242 |
---|---|
Molecular formula | C26H38O5 |
IUPAC name | methyl (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoate |
Molecular weight | 430.585 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 3.9 |
Synonyms | (R-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-hept-1-enyl)-cyclopentyl]-hept-5-enoic acid methyl ester BDBM50020301 (S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-7-phenyl-hept-1-enyl)-cyclopentyl]-hept-5-enoic acid methyl ester |
Inchi Key | KNPLJGMVILBNGV-FTQSZQCKSA-N |
Inchi ID | InChI=1S/C26H38O5/c1-31-26(30)16-8-3-2-7-15-22-23(25(29)19-24(22)28)18-17-21(27)14-10-9-13-20-11-5-4-6-12-20/h2,4-7,11-12,17-18,21-25,27-29H,3,8-10,13-16,19H2,1H3/b7-2-,18-17+/t21-,22+,23?,24-,25+/m0/s1 |
PubChem CID | 44322596 |
ChEMBL | CHEMBL422242 |
IUPHAR | N/A |
BindingDB | 50020301 |
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 |
---|---|---|---|---|---|
173563 | Prostaglandin F2-alpha receptor | P37289 | PTGFR | Bos taurus (Bovine) | 362 |
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