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Name | SCHEMBL17077215 |
---|---|
Molecular formula | C30H26F4N4O3 |
IUPAC name | 1-[2-[5-fluoro-7-hydroxy-3,3-dimethyl-4-(2-methylpyridin-4-yl)-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea |
Molecular weight | 566.557 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 7.0 |
Synonyms | US9540323, 191 |
Inchi Key | BETXAOLEPUGGGZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H26F4N4O3/c1-17-14-18(12-13-35-17)25-21(31)15-24(39)27-26(25)29(2,3)16-38(27)23-7-5-4-6-22(23)37-28(40)36-19-8-10-20(11-9-19)41-30(32,33)34/h4-15,39H,16H2,1-3H3,(H2,36,37,40) |
PubChem CID | 136970193 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 260990 |
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 |
---|---|---|---|---|---|
557957 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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