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Name | CHEMBL89822 |
---|---|
Molecular formula | C29H40F3N7O2 |
IUPAC name | 3-tert-butyl-N,N,1-trimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyrazolo[3,4-b]pyridine-5-carboxamide |
Molecular weight | 575.681 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 5.6 |
Synonyms | N/A |
Inchi Key | KGQVWTUDJMKFST-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H40F3N7O2/c1-28(2,3)25-23-24(20(27(40)36(4)5)18-34-26(23)37(6)35-25)33-12-9-13-38-14-16-39(17-15-38)21-10-7-8-11-22(21)41-19-29(30,31)32/h7-8,10-11,18H,9,12-17,19H2,1-6H3,(H,33,34) |
PubChem CID | 10555166 |
ChEMBL | CHEMBL89822 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
168737 | Alpha-1A adrenergic receptor | O02824 | ADRA1A | Oryctolagus cuniculus (Rabbit) | 466 |
168738 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
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