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Name | CHEMBL3326905 |
---|---|
Molecular formula | C28H30N4O4 |
IUPAC name | 4-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]butanoic acid |
Molecular weight | 486.572 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | BDBM50100273 |
Inchi Key | KZZHOROURDEUBF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H30N4O4/c1-4-6-26(33)23-16-29-32(19(23)3)21-11-9-20(10-12-21)30-28(36)24-17-31(14-5-7-27(34)35)25-13-8-18(2)15-22(24)25/h8-13,15-17H,4-7,14H2,1-3H3,(H,30,36)(H,34,35) |
PubChem CID | 118711972 |
ChEMBL | CHEMBL3326905 |
IUPHAR | N/A |
BindingDB | 50100273 |
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 |
---|---|---|---|---|---|
448872 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
448873 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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