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Name | CHEMBL3325659 |
---|---|
Molecular formula | C32H38N6O4 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 570.694 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | BDBM50055815 |
Inchi Key | KKOKADSYNDTGQS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O4/c1-4-5-30(40)27-19-33-38(23(27)3)25-9-7-24(8-10-25)34-32(42)28-20-37(29-11-6-22(2)18-26(28)29)21-31(41)36-14-12-35(13-15-36)16-17-39/h6-11,18-20,39H,4-5,12-17,21H2,1-3H3,(H,34,42) |
PubChem CID | 118711097 |
ChEMBL | CHEMBL3325659 |
IUPHAR | N/A |
BindingDB | 50055815 |
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 |
---|---|---|---|---|---|
448414 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
448415 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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