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Name | CHEMBL3325779 |
---|---|
Molecular formula | C32H38N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 554.695 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | BDBM50055823 |
Inchi Key | PUJSISCOOGNILX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O3/c1-6-7-30(39)27-15-33-38(23(27)5)25-11-9-24(10-12-25)35-32(41)28-18-36(29-13-8-20(2)14-26(28)29)19-31(40)37-16-21(3)34-22(4)17-37/h8-15,18,21-22,34H,6-7,16-17,19H2,1-5H3,(H,35,41) |
PubChem CID | 118711172 |
ChEMBL | CHEMBL3325779 |
IUPHAR | N/A |
BindingDB | 50055823 |
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 |
---|---|---|---|---|---|
452345 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
452346 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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