Compound Detail

CHEMBL199806

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N#Cc1ccc2[nH]c(-c3ccccn3)nc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL199806
Phase	Preclinical
Structure Type	MOL
InChI Key	JOPNJLSDCGCEFK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

220.2

MW (Da)

2.50

ALogP

HBA

HBD

65.4

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.37

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Methionine aminopeptidase CHEMBL3423	IC50	6.37	6.37	431.0	1
Unchecked CHEMBL612545	IC50	6.37	5.425	430.0	2
Methionine aminopeptidase 2 CHEMBL3922	IC50	4.48	4.48	32900.0	1
Methionine aminopeptidase 1 CHEMBL2474	IC50	4.43	4.43	37300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Methionine aminopeptidase	IC50	=	431.0	nM	6.37	Inhibition of Co2+ loaded MetAP expressed in Escherichia coli	16420038
Unchecked	IC50	=	430.0	nM	6.37	Inhibition of Escherichia coli MetAP	20621724
Unchecked	IC50	=	33000.0	nM	4.48	Inhibition of Staphylococcus aureus MetAP	20621724
Methionine aminopeptidase 2	IC50	=	32900.0	nM	4.48	Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells	20621724
Methionine aminopeptidase 1	IC50	=	37300.0	nM	4.43	Inhibition of human MetAP1	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