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Name | CHEMBL3326903 |
---|---|
Molecular formula | C26H30N4O5 |
IUPAC name | 4-[2-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoylamino]-4-methylphenoxy]butanoic acid |
Molecular weight | 478.549 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 3.6 |
Synonyms | BDBM50100314 |
Inchi Key | UGZSBJYXIDPTIF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H30N4O5/c1-4-6-23(31)21-16-27-30(18(21)3)20-11-9-19(10-12-20)28-26(34)29-22-15-17(2)8-13-24(22)35-14-5-7-25(32)33/h8-13,15-16H,4-7,14H2,1-3H3,(H,32,33)(H2,28,29,34) |
PubChem CID | 118711970 |
ChEMBL | CHEMBL3326903 |
IUPHAR | N/A |
BindingDB | 50100314 |
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 |
---|---|---|---|---|---|
455071 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
455072 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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