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Name | CHEMBL3325658 |
---|---|
Molecular formula | C34H42N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(4-butylpiperazin-1-yl)-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 582.749 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | BDBM50055664 |
Inchi Key | NWJAOIZKZJJXKV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H42N6O3/c1-5-7-15-37-16-18-38(19-17-37)33(42)23-39-22-30(28-20-24(3)9-14-31(28)39)34(43)36-26-10-12-27(13-11-26)40-25(4)29(21-35-40)32(41)8-6-2/h9-14,20-22H,5-8,15-19,23H2,1-4H3,(H,36,43) |
PubChem CID | 118711096 |
ChEMBL | CHEMBL3325658 |
IUPHAR | N/A |
BindingDB | 50055664 |
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 |
---|---|---|---|---|---|
450869 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
450870 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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