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Name | CHEMBL3325790 |
---|---|
Molecular formula | C30H32ClFN6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 579.073 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50055849 SCHEMBL13505590 |
Inchi Key | RTIVTQKATKGTKF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H32ClFN6O3/c1-4-5-28(39)23-16-33-38(19(23)2)21-8-6-20(7-9-21)34-30(41)24-17-37(27-15-26(32)25(31)14-22(24)27)18-29(40)36-12-10-35(3)11-13-36/h6-9,14-17H,4-5,10-13,18H2,1-3H3,(H,34,41) |
PubChem CID | 66576451 |
ChEMBL | CHEMBL3325790 |
IUPHAR | N/A |
BindingDB | 50055849 |
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 |
---|---|---|---|---|---|
453760 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
453761 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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