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Name | CHEMBL3325637 |
---|---|
Molecular formula | C31H33N7O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 551.651 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | BDBM50100109 |
Inchi Key | MDGCKRCPNWUDAA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H33N7O3/c1-4-5-29(39)26-17-34-38(22(26)3)24-9-7-23(8-10-24)35-31(41)27-18-37(28-11-6-21(2)16-25(27)28)19-30(40)33-13-15-36-14-12-32-20-36/h6-12,14,16-18,20H,4-5,13,15,19H2,1-3H3,(H,33,40)(H,35,41) |
PubChem CID | 118711075 |
ChEMBL | CHEMBL3325637 |
IUPHAR | N/A |
BindingDB | 50100109 |
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 |
---|---|---|---|---|---|
449664 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
449665 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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