2-[[4-[(2-Amino-6-methyl-4-oxo-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoyl]amino]pentanedioic acid

InChIKey	`OMHZMMMKMRPSKH-UHFFFAOYSA-N`
Compound Name	2-[[4-[(2-Amino-6-methyl-4-oxo-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoyl]amino]pentanedioic acid
Canonical SMILES	`CC1=C(Sc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C2C(=O)NC(N)=NC2N1`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	7.32
Source	ChEMBL;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P04818	TYMS	Homo sapiens	Human	PF00303	7.4	IC50	ChEMBL
P00374	DHFR	Homo sapiens	Human	PF00186	6.9	pIC50	TTD_MultiTarget
P00469	thyA	Lacticaseibacillus casei	Pathogen	PF00303	7.7	IC50	ChEMBL