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Name | SCHEMBL15597039 |
---|---|
Molecular formula | C31H24ClF3N4O4 |
IUPAC name | 1-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea |
Molecular weight | 609.002 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 8.0 |
Synonyms | US9540323, 91 |
Inchi Key | BIYSAXNMKCLVHI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H24ClF3N4O4/c1-30(2)16-39(27-24(40)14-12-20(26(27)30)28-37-22-13-7-17(32)15-25(22)42-28)23-6-4-3-5-21(23)38-29(41)36-18-8-10-19(11-9-18)43-31(33,34)35/h3-15,40H,16H2,1-2H3,(H2,36,38,41) |
PubChem CID | 136612401 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 260900 |
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 |
---|---|---|---|---|---|
558048 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218