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Name | CHEMBL422418 |
---|---|
Molecular formula | C22H29N3O7 |
IUPAC name | (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(4-azido-2-hydroxyphenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid |
Molecular weight | 447.488 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 5 |
XlogP | 2.6 |
Synonyms | BDBM50020304 (R-isomer)7-{2-[4-(4-Azido-2-hydroxy-phenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid |
Inchi Key | PYOUKOGVTYCAQX-JMNDOXIRSA-N |
Inchi ID | InChI=1S/C22H29N3O7/c23-25-24-14-7-10-21(20(29)11-14)32-13-15(26)8-9-17-16(18(27)12-19(17)28)5-3-1-2-4-6-22(30)31/h1,3,7-11,15-19,26-29H,2,4-6,12-13H2,(H,30,31)/b3-1-,9-8+/t15-,16-,17-,18+,19-/m1/s1 |
PubChem CID | 44322517 |
ChEMBL | CHEMBL422418 |
IUPHAR | N/A |
BindingDB | 50020304 |
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 |
---|---|---|---|---|---|
272172 | Prostaglandin F2-alpha receptor | P37289 | PTGFR | Bos taurus (Bovine) | 362 |
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