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Name | CHEMBL3326908 |
---|---|
Molecular formula | C27H28N4O4 |
IUPAC name | 2-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-methylcarbamoyl]-5-methylindol-1-yl]acetic acid |
Molecular weight | 472.545 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | BDBM50100185 |
Inchi Key | FVCKAMNKMREJPW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H28N4O4/c1-5-6-25(32)22-14-28-31(18(22)3)20-10-8-19(9-11-20)29(4)27(35)23-15-30(16-26(33)34)24-12-7-17(2)13-21(23)24/h7-15H,5-6,16H2,1-4H3,(H,33,34) |
PubChem CID | 118711974 |
ChEMBL | CHEMBL3326908 |
IUPHAR | N/A |
BindingDB | 50100185 |
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 |
---|---|---|---|---|---|
445216 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
445217 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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