Molecule Details
InChIKeyFCEWTMLZJKEGGF-UDWIEESQSA-N
Compound Name3-[[(E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
Canonical SMILESCCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Br)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.26
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q05209 PTPN12 Homo sapiens Human PF00102 6.3 IC50 ChEMBL
Q9Y6K1 DNMT3A Homo sapiens Human PF17980 PF00145 PF22855 PF21255 PF00855 6.3 IC50 BindingDB
Q9Y2R2 PTPN22 Homo sapiens Human PF00102 6.1 IC50 ChEMBL;BindingDB