Compound Detail

CHEMBL201143

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c1ccc(-c2nc3ncc[nH]c-3n2)nc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL201143
Phase	Preclinical
Structure Type	MOL
InChI Key	SEABXDNEUDFMBH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

197.2

MW (Da)

1.37

ALogP

HBA

HBD

67.3

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.62

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Methionine aminopeptidase CHEMBL3423	IC50	6.62	6.62	240.0	1
Unchecked CHEMBL612545	IC50	6.62	5.64	240.0	2
Methionine aminopeptidase 1 CHEMBL2474	IC50	4.4	4.4	40100.0	1
Methionine aminopeptidase 2 CHEMBL3922	IC50	4.32	4.32	48400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Methionine aminopeptidase	IC50	=	240.0	nM	6.62	Inhibition of Co2+ loaded MetAP expressed in Escherichia coli	16420038
Unchecked	IC50	=	240.0	nM	6.62	Inhibition of Escherichia coli MetAP	20621724
Unchecked	IC50	=	22000.0	nM	4.66	Inhibition of Staphylococcus aureus MetAP	20621724
Methionine aminopeptidase 1	IC50	=	40100.0	nM	4.4	Inhibition of human MetAP1	20621724
Methionine aminopeptidase 2	IC50	=	48400.0	nM	4.32	Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells	20621724

PubMed	DOI	Target Context	# Activities
20621724	10.1016/j.bmcl.2010.05.093	Unchecked	3
16420038	10.1021/jm050476z	Methionine aminopeptidase	2
20621724	10.1016/j.bmcl.2010.05.093	Methionine aminopeptidase 1	2
20621724	10.1016/j.bmcl.2010.05.093	Methionine aminopeptidase 2	2

Data from ChEMBL 36 via Core Engine