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Name | CHEMBL3326904 |
---|---|
Molecular formula | C28H30N4O4 |
IUPAC name | 4-[1-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-6-methylindol-3-yl]butanoic acid |
Molecular weight | 486.572 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.6 |
Synonyms | BDBM50100271 |
Inchi Key | CNEUIUYUJUBTAI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H30N4O4/c1-4-6-26(33)24-16-29-32(19(24)3)22-12-10-21(11-13-22)30-28(36)31-17-20(7-5-8-27(34)35)23-14-9-18(2)15-25(23)31/h9-17H,4-8H2,1-3H3,(H,30,36)(H,34,35) |
PubChem CID | 118711971 |
ChEMBL | CHEMBL3326904 |
IUPHAR | N/A |
BindingDB | 50100271 |
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 |
---|---|---|---|---|---|
443481 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
443482 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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