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Name | CHEMBL3325652 |
---|---|
Molecular formula | C36H44N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]indole-3-carboxamide |
Molecular weight | 608.787 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | BDBM50055616 |
Inchi Key | CCIQVHZGLRYWLM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H44N6O3/c1-4-9-34(43)31-21-37-42(26(31)3)28-14-12-27(13-15-28)38-36(45)32-23-40(33-16-11-25(2)20-30(32)33)24-35(44)41-19-6-5-10-29(41)22-39-17-7-8-18-39/h11-16,20-21,23,29H,4-10,17-19,22,24H2,1-3H3,(H,38,45) |
PubChem CID | 118711090 |
ChEMBL | CHEMBL3325652 |
IUPHAR | N/A |
BindingDB | 50055616 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
443207 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
443208 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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