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Name | CHEMBL35715 |
---|---|
Molecular formula | C24H38O6 |
IUPAC name | 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-(3-methoxyphenyl)pentyl]cyclopentyl]heptanoic acid |
Molecular weight | 422.562 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 3.9 |
Synonyms | 7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(R)-3-hydroxy-5-(3-methoxy-phenyl)-pentyl]-cyclopentyl}-heptanoic acid BDBM50090138 7-[(1R)-2beta-[(3R)-3-Hydroxy-5-(3-methoxyphenyl)pentyl]-3alpha,5alpha-dihydroxycyclopentane-1alpha-yl]heptanoic acid |
Inchi Key | DAQYIUROFOIFAX-PBZQEHOFSA-N |
Inchi ID | InChI=1S/C24H38O6/c1-30-19-8-6-7-17(15-19)11-12-18(25)13-14-21-20(22(26)16-23(21)27)9-4-2-3-5-10-24(28)29/h6-8,15,18,20-23,25-27H,2-5,9-14,16H2,1H3,(H,28,29)/t18-,20+,21+,22-,23+/m0/s1 |
PubChem CID | 44285252 |
ChEMBL | CHEMBL35715 |
IUPHAR | N/A |
BindingDB | 50090138 |
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 |
---|---|---|---|---|---|
55257 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
55258 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
55256 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
55259 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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