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Name | CHEMBL1094419 |
---|---|
Molecular formula | C30H35NO4 |
IUPAC name | 3-[2-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid |
Molecular weight | 473.613 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 6.4 |
Synonyms | BDBM50317914 SCHEMBL2985082 3-[2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]amino}-carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid |
Inchi Key | ALKDPZDQOKEMAM-MUUNZHRXSA-N |
Inchi ID | InChI=1S/C30H35NO4/c1-20(2)14-28(25-16-21(3)15-22(4)17-25)31-30(34)27-18-23(10-11-24(27)12-13-29(32)33)19-35-26-8-6-5-7-9-26/h5-11,15-18,20,28H,12-14,19H2,1-4H3,(H,31,34)(H,32,33)/t28-/m1/s1 |
PubChem CID | 46887719 |
ChEMBL | CHEMBL1094419 |
IUPHAR | N/A |
BindingDB | 50317914 |
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 |
---|---|---|---|---|---|
8330 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
8331 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
8328 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
8329 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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