Molecule Details
InChIKeyHJUPPNTXGDFNAO-UHFFFAOYSA-N
Compound Name5-Bromo-4-[2-(1-methyl-piperidin-4-yl)-ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-2-carbonitrile
Canonical SMILESCN1CCC(CCOc2nc(C#N)nc(NCC3CCC4(CC3)CC4)c2Br)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.42
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P25774 CTSS Homo sapiens Human PF08246 PF00112 8.7 IC50 ChEMBL;BindingDB
P43235 CTSK Homo sapiens Human PF08246 PF00112 7.0 IC50 ChEMBL;BindingDB
P07711 CTSL Homo sapiens Human PF08246 PF00112 6.5 IC50 ChEMBL;BindingDB