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Name | CHEMBL3325793 |
---|---|
Molecular formula | C31H35ClN6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-6-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 575.11 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | BDBM50055852 |
Inchi Key | BXJRGWPXDMUJRE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H35ClN6O3/c1-5-6-29(39)25-17-33-38(21(25)3)23-9-7-22(8-10-23)34-31(41)26-18-37(28-15-20(2)27(32)16-24(26)28)19-30(40)36-13-11-35(4)12-14-36/h7-10,15-18H,5-6,11-14,19H2,1-4H3,(H,34,41) |
PubChem CID | 118711182 |
ChEMBL | CHEMBL3325793 |
IUPHAR | N/A |
BindingDB | 50055852 |
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 |
---|---|---|---|---|---|
443069 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
443070 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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