Molecule Details
InChIKeyVKSOIYNNOFGGES-MDWZMJQESA-N
Compound Name4,4-Dimethyl-1-(3-nitro-phenyl)-2-[1,2,4]triazol-1-yl-pent-1-en-3-one
Canonical SMILESCC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.07
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O95977 S1PR4 Homo sapiens Human PF00001 6.1 IC50 ChEMBL
O43353 RIPK2 Homo sapiens Human PF00619 PF07714 6.1 IC50 BindingDB
P17861 XBP1 Homo sapiens Human PF07716 6.0 IC50 ChEMBL