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Name | CHEMBL36911 |
---|---|
Molecular formula | C23H35FO5 |
IUPAC name | 7-[(1R,2R,3R,5S)-2-[(3R)-5-(4-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid |
Molecular weight | 410.526 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 4.0 |
Synonyms | BDBM50090135 7-[(1R)-2beta-[(3R)-3-Hydroxy-5-(4-fluorophenyl)pentyl]-3alpha,5alpha-dihydroxycyclopentane-1alpha-yl]heptanoic acid 7-{(1R,2R,3R,5S)-2-[(R)-5-(4-Fluoro-phenyl)-3-hydroxy-pentyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid |
Inchi Key | BTTDPLCDPXPOEM-AHJNKEMKSA-N |
Inchi ID | InChI=1S/C23H35FO5/c24-17-10-7-16(8-11-17)9-12-18(25)13-14-20-19(21(26)15-22(20)27)5-3-1-2-4-6-23(28)29/h7-8,10-11,18-22,25-27H,1-6,9,12-15H2,(H,28,29)/t18-,19+,20+,21-,22+/m0/s1 |
PubChem CID | 44285328 |
ChEMBL | CHEMBL36911 |
IUPHAR | N/A |
BindingDB | 50090135 |
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 |
---|---|---|---|---|---|
32682 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
32685 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
32683 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
32684 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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