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Name | CHEMBL3325806 |
---|---|
Molecular formula | C29H31ClN6O3 |
IUPAC name | 5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[4-(5-methyl-4-propanoylpyrazol-1-yl)phenyl]indole-3-carboxamide |
Molecular weight | 547.056 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM50100190 |
Inchi Key | ORKAQHAYFDUVRI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H31ClN6O3/c1-4-27(37)24-16-31-36(19(24)2)22-8-6-21(7-9-22)32-29(39)25-17-35(26-10-5-20(30)15-23(25)26)18-28(38)34-13-11-33(3)12-14-34/h5-10,15-17H,4,11-14,18H2,1-3H3,(H,32,39) |
PubChem CID | 118711192 |
ChEMBL | CHEMBL3325806 |
IUPHAR | N/A |
BindingDB | 50100190 |
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 |
---|---|---|---|---|---|
451498 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
451499 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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