Compound Detail

CHEMBL3351144

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3351144
Phase	Preclinical
Structure Type	MOL
InChI Key	QRXBDPYWCAAAAI-AZDHXYLBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

248.2

MW (Da)

-4.00

ALogP

HBA

HBD

148.3

PSA (Å²)

0.26

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

Ki 10 meas. best 5.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glycogen phosphorylase, brain form CHEMBL3856	Ki	5.52	5.51	3000.0	2
Unchecked CHEMBL612545	Ki	5.52	5.52	2999.2	2
Glycogen phosphorylase, muscle form CHEMBL3526	Ki	5.38	4.98	4200.0	2
Glycogen phosphorylase, liver form CHEMBL3239	Ki	4.89	4.835	12800.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glycogen phosphorylase, brain form	Ki	=	3000.0	nM	5.52	Inhibition of rabbit glycogen phosphorylase B enzyme	9154968
Unchecked	Ki	=	2999.16	nM	5.52	Affinity on glycogen phosphorylase (GP) enzyme.	9435905
Unchecked	Ki	=	2999.16	nM	5.52	Inhibitory activity against glycogen phosphorylase, activity expressed as -logKi	12502357
Glycogen phosphorylase, brain form	Ki	=	3162.28	nM	5.5	Inhibitory activity against Pig Skeletal Glycogen Phosphorylase b	12213058
Glycogen phosphorylase, muscle form	Ki	=	4200.0	nM	5.38	Inhibitor constant was measured against Muscle phosphorylase b in rabbit	10360741
Glycogen phosphorylase, liver form	Ki	=	12800.0	nM	4.89	Inhibitor constant was measured against Liver phosphorylase b in rat	10360741
Glycogen phosphorylase, liver form	Ki	=	16500.0	nM	4.78	Inhibitor constant was measured against Liver phosphorylase a in rat	10360741
Glycogen phosphorylase, muscle form	Ki	=	26000.0	nM	4.58	Inhibitor constant was measured against Muscle phosphorylase a in rabbit	10360741

PubMed	DOI	Target Context	# Activities
10360741	10.1016/s0960-894x(99)00192-4	Glycogen phosphorylase, liver form	4
10360741	10.1016/s0960-894x(99)00192-4	Glycogen phosphorylase, muscle form	4
10966742	10.1021/jm000941m	Unchecked	2
9406599	10.1021/jm970273d	Glycogen phosphorylase, muscle form	1
9154968	10.1021/jm9608016	Glycogen phosphorylase, brain form	1
12213058	10.1021/jm020808p	Glycogen phosphorylase, brain form	1
9435905	10.1021/jm970488n	Unchecked	1
12502357	10.1021/jm011051p	Unchecked	1

Data from ChEMBL 36 via Core Engine