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Name | CHEMBL1095117 |
---|---|
Molecular formula | C29H31F2NO4 |
IUPAC name | 3-[4-(3,5-difluorophenoxy)-2-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid |
Molecular weight | 495.567 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 6.6 |
Synonyms | 3-[4-(3,5-Difluorophenoxy)-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid BDBM50317900 SCHEMBL4505662 |
Inchi Key | BSISWJVFEHGQBT-HHHXNRCGSA-N |
Inchi ID | InChI=1S/C29H31F2NO4/c1-17(2)9-27(21-11-18(3)10-19(4)12-21)32-29(35)26-16-24(7-5-20(26)6-8-28(33)34)36-25-14-22(30)13-23(31)15-25/h5,7,10-17,27H,6,8-9H2,1-4H3,(H,32,35)(H,33,34)/t27-/m1/s1 |
PubChem CID | 10368531 |
ChEMBL | CHEMBL1095117 |
IUPHAR | N/A |
BindingDB | 50317900 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
31710 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
31708 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
31709 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
31707 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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