Molecule Details
InChIKeyAXPTXASLHIWRCG-UHFFFAOYSA-N
Compound Name9-[3-sulfamoyl-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3-azaspiro[5.5]undecane-3-carboxamidine
Canonical SMILESN=C(N)N1CCC2(CCC(c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nnn[nH]3)CC2)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL9.01
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
C7C422 blaNDM-1 Klebsiella pneumoniae Pathogen PF00753 9.3 IC50 ChEMBL;BindingDB
Q5GN09 vim-1 Klebsiella pneumoniae Pathogen PF00753 8.9 IC50 BindingDB
P52699 Serratia marcescens Pathogen PF00753 8.8 IC50 BindingDB