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Name | CHEMBL315519 |
---|---|
Molecular formula | C23H31N3O6 |
IUPAC name | (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(4-azido-2-hydroxyphenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid |
Molecular weight | 445.516 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 5 |
XlogP | 3.3 |
Synonyms | BDBM50020306 (S-isomer)7-{2-[5-(4-Azido-2-hydroxy-phenyl)-3-hydroxy-pent-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid |
Inchi Key | OIIBJRRMFXGDNC-SLVAOXGGSA-N |
Inchi ID | InChI=1S/C23H31N3O6/c24-26-25-16-9-7-15(20(28)13-16)8-10-17(27)11-12-19-18(21(29)14-22(19)30)5-3-1-2-4-6-23(31)32/h1,3,7,9,11-13,17-19,21-22,27-30H,2,4-6,8,10,14H2,(H,31,32)/b3-1-,12-11+/t17-,18+,19+,21-,22+/m0/s1 |
PubChem CID | 44322588 |
ChEMBL | CHEMBL315519 |
IUPHAR | N/A |
BindingDB | 50020306 |
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 |
---|---|---|---|---|---|
242065 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
242066 | Prostaglandin F2-alpha receptor | P37289 | PTGFR | Bos taurus (Bovine) | 362 |
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