Compound Detail

CHEMBL90049

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C=C(C)CC(=O)Nc1cccnc1C(=O)Nc1nccs1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL90049
Phase	Preclinical
Structure Type	MOL
InChI Key	KFSGCGJHZFJFNZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

302.4

MW (Da)

2.70

ALogP

HBA

HBD

84.0

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Methionine aminopeptidase CHEMBL3423	IC50	6.82	6.82	150.0	1
Unchecked CHEMBL612545	IC50	6.82	6.075	150.0	2
Methionine aminopeptidase 1 CHEMBL2526	IC50	5.33	5.33	4670.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Methionine aminopeptidase	IC50	=	150.0	nM	6.82	Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli	12801227
Unchecked	IC50	=	150.0	nM	6.82	Inhibitory concentration against Methionine aminopeptidase-1 (EcMetAP1)	15664829
Methionine aminopeptidase 1	IC50	=	4670.0	nM	5.33	Inhibitory activity against type I methionine aminopeptidase from Saccharomyces ...	12801227
Unchecked	IC50	=	4670.0	nM	5.33	Inhibitory concentration against Methionine aminopeptidase-1 (ScMetAP1)	15664829

PubMed	DOI	Target Context	# Activities
15664829	10.1016/j.bmcl.2004.11.035	Unchecked	2
12801227	10.1021/jm0300532	Methionine aminopeptidase	1
12801227	10.1021/jm0300532	Methionine aminopeptidase 1	1
12801227	10.1021/jm0300532	Unchecked	1

Data from ChEMBL 36 via Core Engine