Phenyl-[[25,26,27,28-tetrahydroxy-11,17,23-tris[[hydroxy(phenyl)phosphoryl]methyl]-2,2,8,8,14,14,20,20-octaoxo-2lambda6,8lambda6,14lambda6,20lambda6-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]methyl]phosphinic acid

InChIKey	`JNCPSODLWJEFQC-UHFFFAOYSA-N`
Compound Name	Phenyl-[[25,26,27,28-tetrahydroxy-11,17,23-tris[[hydroxy(phenyl)phosphoryl]methyl]-2,2,8,8,14,14,20,20-octaoxo-2lambda6,8lambda6,14lambda6,20lambda6-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]methyl]phosphinic acid
Canonical SMILES	`O=P(O)(Cc1cc2c(O)c(c1)S(=O)(=O)c1cc(CP(=O)(O)c3ccccc3)cc(c1O)S(=O)(=O)c1cc(CP(=O)(O)c3ccccc3)cc(c1O)S(=O)(=O)c1cc(CP(=O)(O)c3ccccc3)cc(c1O)S2(=O)=O)c1ccccc1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Homologous
Avg pChEMBL	6.66
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P18031	PTPN1	Homo sapiens	Human	PF00102	7.3	IC50	ChEMBL;BindingDB
P29074	PTPN4	Homo sapiens	Human	PF08736 PF09380 PF00373 PF09379 PF00595 PF00102	6.7	IC50	ChEMBL;BindingDB
P17706	PTPN2	Homo sapiens	Human	PF00102	6.5	IC50	ChEMBL;BindingDB
P43378	PTPN9	Homo sapiens	Human	PF00650 PF00102	6.4	IC50	ChEMBL;BindingDB
Q06124	PTPN11	Homo sapiens	Human	PF00017 PF00102	6.3	IC50	ChEMBL;BindingDB