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Name | CHEMBL1928220 |
---|---|
Molecular formula | C24H32N4O3 |
IUPAC name | (1R,2R,3aS,8bS)-1-[(E,3S)-4-cyclohexyl-3-hydroxybut-1-enyl]-5-[2-(2H-tetrazol-5-yl)ethyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-2-ol |
Molecular weight | 424.545 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.1 |
Synonyms | BDBM50359615 SCHEMBL13585453 |
Inchi Key | VLFOPQQEYFUEHI-PQEHKDGBSA-N |
Inchi ID | InChI=1S/C24H32N4O3/c29-17(13-15-5-2-1-3-6-15)10-11-18-20(30)14-21-23(18)19-8-4-7-16(24(19)31-21)9-12-22-25-27-28-26-22/h4,7-8,10-11,15,17-18,20-21,23,29-30H,1-3,5-6,9,12-14H2,(H,25,26,27,28)/b11-10+/t17-,18+,20-,21+,23+/m1/s1 |
PubChem CID | 10113129 |
ChEMBL | CHEMBL1928220 |
IUPHAR | N/A |
BindingDB | 50359615 |
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 |
---|---|---|---|---|---|
357813 | Prostaglandin E2 receptor EP4 subtype | Q28691 | PTGER4 | Oryctolagus cuniculus (Rabbit) | 488 |
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