Molecule Details
InChIKeyOCNRYIRRTPOMKW-UHFFFAOYSA-N
Compound Name2-(2-(m-Toluidino)-3-methylbutanoyl)piperazine-1-carbonitrile
Canonical SMILESCc1cccc(NC(C(=O)N2CCCCN2C#N)C(C)C)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.39
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 8.2 IC50 ChEMBL;BindingDB
P07858 CTSB Homo sapiens Human PF00112 PF08127 7.5 IC50 ChEMBL;BindingDB
P07711 CTSL Homo sapiens Human PF08246 PF00112 6.5 IC50 ChEMBL;BindingDB