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Name | CHEMBL1094155 |
---|---|
Molecular formula | C30H34FNO4 |
IUPAC name | 3-[2-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[(3-fluorophenoxy)methyl]phenyl]propanoic acid |
Molecular weight | 491.603 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 6.5 |
Synonyms | 3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]amino}-carbonyl)-4-[(3-fluorophenoxy)methyl]phenyl}propanoic acid BDBM50317915 SCHEMBL2986784 |
Inchi Key | JZCWPRMKQDJDBN-MUUNZHRXSA-N |
Inchi ID | InChI=1S/C30H34FNO4/c1-19(2)12-28(24-14-20(3)13-21(4)15-24)32-30(35)27-16-22(8-9-23(27)10-11-29(33)34)18-36-26-7-5-6-25(31)17-26/h5-9,13-17,19,28H,10-12,18H2,1-4H3,(H,32,35)(H,33,34)/t28-/m1/s1 |
PubChem CID | 46887056 |
ChEMBL | CHEMBL1094155 |
IUPHAR | N/A |
BindingDB | 50317915 |
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 |
---|---|---|---|---|---|
163600 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
163602 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
163603 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
163601 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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