Molecule Details
InChIKeyPXNYEUGGRMYQLD-UHFFFAOYSA-N
Compound Name[[4-[3-[[1-[[1-Amino-3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-1-oxopropan-2-yl]amino]-5-[(3-iodobenzoyl)amino]-1-oxopentan-2-yl]amino]-2-[(3-bromo-4-methylbenzoyl)amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
Canonical SMILESCOc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.48
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P43378 PTPN9 Homo sapiens Human PF00650 PF00102 7.3 IC50 ChEMBL;BindingDB
P17706 PTPN2 Homo sapiens Human PF00102 6.1 IC50 ChEMBL;BindingDB
P18031 PTPN1 Homo sapiens Human PF00102 6.1 IC50 ChEMBL;BindingDB