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Name | CHEMBL3325894 |
---|---|
Molecular formula | C29H38ClN7O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)piperidin-1-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 568.119 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | SCHEMBL17124175 BDBM50100245 |
Inchi Key | CYMPIFSEGHZYOW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H38ClN7O3/c1-4-5-27(38)24-17-31-37(20(24)2)22-8-10-36(11-9-22)32-29(40)25-18-35(26-7-6-21(30)16-23(25)26)19-28(39)34-14-12-33(3)13-15-34/h6-7,16-18,22H,4-5,8-15,19H2,1-3H3,(H,32,40) |
PubChem CID | 73603967 |
ChEMBL | CHEMBL3325894 |
IUPHAR | N/A |
BindingDB | 50100245 |
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 |
---|---|---|---|---|---|
443845 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
443846 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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