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Name | CHEMBL3325808 |
---|---|
Molecular formula | C30H30ClF3N6O3 |
IUPAC name | 5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[4-[5-methyl-4-(4,4,4-trifluorobutanoyl)pyrazol-1-yl]phenyl]indole-3-carboxamide |
Molecular weight | 615.054 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50100189 |
Inchi Key | VPAGCBLLJMPOTC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H30ClF3N6O3/c1-19-24(27(41)9-10-30(32,33)34)16-35-40(19)22-6-4-21(5-7-22)36-29(43)25-17-39(26-8-3-20(31)15-23(25)26)18-28(42)38-13-11-37(2)12-14-38/h3-8,15-17H,9-14,18H2,1-2H3,(H,36,43) |
PubChem CID | 118711194 |
ChEMBL | CHEMBL3325808 |
IUPHAR | N/A |
BindingDB | 50100189 |
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 |
---|---|---|---|---|---|
455984 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
455985 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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