(1s,2r,3s,4r,5s)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-6-(methylamino)-9h-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

InChIKey	`RVLAHZAHALVQKF-AQPYCOETSA-N`
Compound Name	(1s,2r,3s,4r,5s)-4-(2-((5-chlorothiophen-2-yl)ethynyl)-6-(methylamino)-9h-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Canonical SMILES	`CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Cross-Family
Avg pChEMBL	7.88
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P0DMS8	ADORA3	Homo sapiens	Human	PF00001	9.2	Ki	ChEMBL;BindingDB
Q01959	SLC6A3	Homo sapiens	Human	PF00209	6.6	IC50	ChEMBL;BindingDB