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Name | SCHEMBL1992715 |
---|---|
Molecular formula | C20H18ClN3O |
IUPAC name | 1-chloro-N-(4-pyrrolidin-3-ylphenyl)isoquinoline-3-carboxamide |
Molecular weight | 351.834 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | CHEMBL3953959 1312567-62-6 BDBM250198 US9452980, 108 3-Isoquinolinecarboxamide, 1-chloro-N-[4-(3-pyrrolidinyl)phenyl]- |
Inchi Key | CRXUAVINIRWJJJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H18ClN3O/c21-19-17-4-2-1-3-14(17)11-18(24-19)20(25)23-16-7-5-13(6-8-16)15-9-10-22-12-15/h1-8,11,15,22H,9-10,12H2,(H,23,25) |
PubChem CID | 53251264 |
ChEMBL | CHEMBL3953959 |
IUPHAR | N/A |
BindingDB | 250198 |
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 |
---|---|---|---|---|---|
537224 | Trace amine-associated receptor 1 | Q923Y9 | Taar1 | Rattus norvegicus (Rat) | 332 |
537225 | Trace amine-associated receptor 1 | Q923Y8 | Taar1 | Mus musculus (Mouse) | 332 |
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