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Name | CHEMBL3325792 |
---|---|
Molecular formula | C31H33F3N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)indole-3-carboxamide |
Molecular weight | 594.639 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | BDBM50055851 SCHEMBL13505668 |
Inchi Key | VHLIJHNUMGWBJU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H33F3N6O3/c1-4-5-28(41)25-17-35-40(20(25)2)23-9-7-22(8-10-23)36-30(43)26-18-39(19-29(42)38-14-12-37(3)13-15-38)27-11-6-21(16-24(26)27)31(32,33)34/h6-11,16-18H,4-5,12-15,19H2,1-3H3,(H,36,43) |
PubChem CID | 66576610 |
ChEMBL | CHEMBL3325792 |
IUPHAR | N/A |
BindingDB | 50055851 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
455823 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
455824 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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