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Name | CHEMBL3326906 |
---|---|
Molecular formula | C27H28N4O4 |
IUPAC name | 3-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]propanoic acid |
Molecular weight | 472.545 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | BDBM50100262 |
Inchi Key | SBQIGUYVKNQWRB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H28N4O4/c1-4-5-25(32)22-15-28-31(18(22)3)20-9-7-19(8-10-20)29-27(35)23-16-30(13-12-26(33)34)24-11-6-17(2)14-21(23)24/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,35)(H,33,34) |
PubChem CID | 118711973 |
ChEMBL | CHEMBL3326906 |
IUPHAR | N/A |
BindingDB | 50100262 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
454012 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
454013 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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