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Name | CHEMBL2182062 |
---|---|
Molecular formula | C31H31N3O4 |
IUPAC name | ethyl 1-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylate |
Molecular weight | 509.606 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.8 |
Synonyms | BDBM50398102 1-{4'-[1-methyl-5-((R)-1-phenyl-ethoxycarbonylamino)-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester BKOZVMQVDMNHQR-OAQYLSRUSA-N SCHEMBL17077062 |
Inchi Key | BKOZVMQVDMNHQR-OAQYLSRUSA-N |
Inchi ID | InChI=1S/C31H31N3O4/c1-4-37-29(35)31(18-19-31)26-16-14-24(15-17-26)23-10-12-25(13-11-23)27-20-32-34(3)28(27)33-30(36)38-21(2)22-8-6-5-7-9-22/h5-17,20-21H,4,18-19H2,1-3H3,(H,33,36)/t21-/m1/s1 |
PubChem CID | 71450323 |
ChEMBL | CHEMBL2182062 |
IUPHAR | N/A |
BindingDB | 50398102 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
25977 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
25976 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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