[3-[[[4-[4-[2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]ethynyl]phenoxy]benzoyl]amino]methyl]phenyl] methanesulfonate

InChIKey	`IFVVAVDCKGJFSK-PMERELPUSA-N`
Compound Name	[3-[[[4-[4-[2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]ethynyl]phenoxy]benzoyl]amino]methyl]phenyl] methanesulfonate
Canonical SMILES	`CS(=O)(=O)Oc1cccc(CNC(=O)c2ccc(Oc3ccc(C#C[C@]4(O)CN5CCC4CC5)cc3)cc2)c1`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	7.2
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08253	MMP2	Homo sapiens	Human	PF00040 PF00045 PF00413	7.2	pIC50	TTD_MultiTarget
P45452	MMP13	Homo sapiens	Human	PF00045 PF00413 PF01471	7.2	IC50	ChEMBL;BindingDB
P18843	nadE	Escherichia coli (strain K12)	Pathogen	PF02540	7.2	pIC50	TTD_MultiTarget