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Ligand

NameSCHEMBL1992715
Molecular formulaC20H18ClN3O
IUPAC name1-chloro-N-(4-pyrrolidin-3-ylphenyl)isoquinoline-3-carboxamide
Molecular weight351.834
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.0
SynonymsCHEMBL3953959
BDBM250198
US9452980, 108
3-Isoquinolinecarboxamide, 1-chloro-N-[4-(3-pyrrolidinyl)phenyl]-
1312567-62-6
Inchi KeyCRXUAVINIRWJJJ-UHFFFAOYSA-N
Inchi IDInChI=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 CID53251264
ChEMBLCHEMBL3953959
IUPHARN/A
BindingDB250198
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537224Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
537225Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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