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Name | CHEMBL3663716 |
---|---|
Molecular formula | C21H19N5O |
IUPAC name | 3-(3-cyanophenyl)-N-(4-pyrrolidin-3-ylphenyl)-1H-pyrazole-5-carboxamide |
Molecular weight | 357.417 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.5 |
Synonyms | SCHEMBL14152795 |
Inchi Key | ANHNUPJURXDJCB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H19N5O/c22-12-14-2-1-3-16(10-14)19-11-20(26-25-19)21(27)24-18-6-4-15(5-7-18)17-8-9-23-13-17/h1-7,10-11,17,23H,8-9,13H2,(H,24,27)(H,25,26) |
PubChem CID | 71087892 |
ChEMBL | CHEMBL3663716 |
IUPHAR | N/A |
BindingDB | 167489 |
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 |
---|---|---|---|---|---|
464036 | Trace amine-associated receptor 1 | Q923Y9 | Taar1 | Rattus norvegicus (Rat) | 332 |
464037 | Trace amine-associated receptor 1 | Q923Y8 | Taar1 | Mus musculus (Mouse) | 332 |
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