Molecule Details
InChIKeyMANOSMRLHJERON-UHFFFAOYSA-N
Compound Name2-(3-Methyl-2-(3-(trifluoromethyl)phenylamino)butanoyl)piperazine-1-carbonitrile
Canonical SMILESCC(C)C(Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCCN1C#N
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.53
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07858 CTSB Homo sapiens Human PF00112 PF08127 7.6 IC50 ChEMBL;BindingDB
P43235 CTSK Homo sapiens Human PF08246 PF00112 7.6 IC50 ChEMBL;BindingDB
P07711 CTSL Homo sapiens Human PF08246 PF00112 7.3 IC50 ChEMBL;BindingDB