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Name | CHEMBL3325661 |
---|---|
Molecular formula | C34H40N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 580.733 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | BDBM50055817 |
Inchi Key | BWXLACRVVOIEGS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H40N6O3/c1-4-5-32(41)29-19-35-40(24(29)3)27-11-9-26(10-12-27)36-34(43)30-21-39(31-13-6-23(2)18-28(30)31)22-33(42)38-16-14-37(15-17-38)20-25-7-8-25/h6,9-13,18-19,21,25H,4-5,7-8,14-17,20,22H2,1-3H3,(H,36,43) |
PubChem CID | 118711098 |
ChEMBL | CHEMBL3325661 |
IUPHAR | N/A |
BindingDB | 50055817 |
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 |
---|---|---|---|---|---|
443054 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
443055 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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