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Name | CHEMBL3325802 |
---|---|
Molecular formula | C31H35ClN6O4 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 591.109 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM50100196 |
Inchi Key | UFBGGGOMAUFVAW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H35ClN6O4/c1-3-4-29(40)26-18-33-38(21(26)2)24-8-6-23(7-9-24)34-31(42)27-19-37(28-10-5-22(32)17-25(27)28)20-30(41)36-13-11-35(12-14-36)15-16-39/h5-10,17-19,39H,3-4,11-16,20H2,1-2H3,(H,34,42) |
PubChem CID | 118711190 |
ChEMBL | CHEMBL3325802 |
IUPHAR | N/A |
BindingDB | 50100196 |
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 |
---|---|---|---|---|---|
455029 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
455030 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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