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Name | CHEMBL3325641 |
---|---|
Molecular formula | C32H38N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1-methylpiperidin-3-yl)amino]-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 554.695 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | BDBM50100198 |
Inchi Key | VHCHHMQCTCIXEB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O3/c1-5-7-30(39)27-17-33-38(22(27)3)25-12-10-23(11-13-25)35-32(41)28-19-37(29-14-9-21(2)16-26(28)29)20-31(40)34-24-8-6-15-36(4)18-24/h9-14,16-17,19,24H,5-8,15,18,20H2,1-4H3,(H,34,40)(H,35,41) |
PubChem CID | 118711079 |
ChEMBL | CHEMBL3325641 |
IUPHAR | N/A |
BindingDB | 50100198 |
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 |
---|---|---|---|---|---|
455809 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
455810 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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