Molecule Details
InChIKeyXQRDFFRFLOSXAR-UHFFFAOYSA-N
Compound Name(1R,2R and 1S,2S)-N-(5-Cyano-1-methyl-1H-pyrazol-4-yl)-2-[4-(3-methyl-1H-pyrazol-5-yl)benzoyl] cyclohexanecarboxamide
Canonical SMILESCc1cc(-c2ccc(C(=O)C3CCCCC3C(=O)Nc3cnn(C)c3C#N)cc2)[nH]n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.07
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P09917 ALOX5 Homo sapiens Human PF00305 PF01477 7.1 IC50 ChEMBL;BindingDB
P20292 ALOX5AP Homo sapiens Human PF01124 7.1 IC50 ChEMBL
P39748 FEN1 Homo sapiens Human PF00867 PF00752 7.1 IC50 ChEMBL