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Name | CHEMBL3325633 |
---|---|
Molecular formula | C30H36N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 528.657 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.3 |
Synonyms | BDBM50100184 |
Inchi Key | BSXBEWQFUIMPMF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H36N6O3/c1-6-7-28(37)25-17-32-36(21(25)3)23-11-9-22(10-12-23)33-30(39)26-18-35(19-29(38)34(5)15-14-31-4)27-13-8-20(2)16-24(26)27/h8-13,16-18,31H,6-7,14-15,19H2,1-5H3,(H,33,39) |
PubChem CID | 118711071 |
ChEMBL | CHEMBL3325633 |
IUPHAR | N/A |
BindingDB | 50100184 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
442917 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
442918 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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