Molecule Details
InChIKeyMBTVJGVVXHCRCZ-UHFFFAOYSA-N
Compound Name4-{[[6-Cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-(1-methyl-1H-imidazole-4-sulfonyl)amino]methyl}-piperidine-1-carboxylic Acid tert-Butyl Ester
Canonical SMILESCn1cnc(S(=O)(=O)N(CC2CCN(C(=O)OC(C)(C)C)CC2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL8.96
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
Q5E175 rhlE Aliivibrio fischeri (strain ATCC 700601 / ES114) Pathogen PF00270 PF00271 9.0 IC50 BindingDB
Q5EI73 Plasmodium falciparum Pathogen PF01239 9.0 IC50 ChEMBL