Compound Detail

CHEMBL490175

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OC[C@H]1O[C@]2(ON=C(c3ccc4ccccc4c3)S2)[C@H](O)[C@@H](O)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL490175
Phase	Preclinical
Structure Type	MOL
InChI Key	IQKNJVIEMDQQQX-GAGVYUBLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

363.4

MW (Da)

0.39

ALogP

HBA

HBD

111.7

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 6.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glycogen phosphorylase, muscle form CHEMBL4696	Ki	6.8	6.8	160.0	2
Unchecked CHEMBL612545	Ki	6.8	6.8	160.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glycogen phosphorylase, muscle form	Ki	=	160.0	nM	6.8	Inhibition of rabbit muscle glycogen phosphorylase b	18793852
Glycogen phosphorylase, muscle form	Ki	=	160.0	nM	6.8	Inhibition of rabbit muscle glycogen phosphorylase b by Dixon plot analysis	19574053
Unchecked	Ki	=	160.0	nM	6.8	Inhibition of glycogen phosphorylase (unknown origin)	-
Unchecked	Ki	=	160.0	nM	6.8	Inhibition of rabbit muscle Glycogen phosphorylase b using alpha-D-glucose-1-pho...	31251604

PubMed	DOI	Target Context	# Activities
18793852	10.1016/j.bmcl.2008.08.052	Glycogen phosphorylase, muscle form	1
19574053	10.1016/j.bmc.2009.05.080	Glycogen phosphorylase, muscle form	1
-	10.1039/C4MD00335G	Unchecked	1
31251604	10.1021/acs.jmedchem.9b00356	Unchecked	1

Data from ChEMBL 36 via Core Engine