Molecule Details
InChIKeyNJKBASVLBVUNMW-UHFFFAOYSA-N
Compound Name5-[3-(3,4-Dihydro-1H-isoquinolin-2-yl)-prop-1-ynyl]-4-(2,2-dimethyl-propylamino)-pyrimidine-2-carbonitrile
Canonical SMILESCC(C)(C)CNc1nc(C#N)ncc1C#CCN1CCc2ccccc2C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.13
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P43235 CTSK Homo sapiens Human PF08246 PF00112 8.5 IC50 ChEMBL;BindingDB
P07711 CTSL Homo sapiens Human PF08246 PF00112 6.8 IC50 ChEMBL;BindingDB
P25774 CTSS Homo sapiens Human PF08246 PF00112 6.1 IC50 ChEMBL;BindingDB