Compound Detail

CHEMBL286570

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CC(C)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCN

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL286570
Phase	Preclinical
Structure Type	MOL
InChI Key	QJVNRLYXNNNSHE-VXKWHMMOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

485.7

MW (Da)

1.71

ALogP

HBA

HBD

159.6

PSA (Å²)

0.13

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Peptide N-myristoyltransferase CHEMBL2096973	IC50	6.38	6.29	420.0	3
Glycylpeptide N-tetradecanoyltransferase CHEMBL3548	IC50	6.11	6.11	780.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Peptide N-myristoyltransferase	IC50	=	420.0	nM	6.38	Inhibitory activity against human N-Myristoyltransferase (NMT).	7783114
Peptide N-myristoyltransferase	IC50	=	420.0	nM	6.38	Inhibition of human N-myristoyltransferase (NMT)	9154965
Peptide N-myristoyltransferase	IC50	=	780.0	nM	6.11	Inhibitory activity against Candida albicans N-Myristoyltransferase (NMT).	7783114
Glycylpeptide N-tetradecanoyltransferase	IC50	=	780.0	nM	6.11	Inhibitory activity against N-myristoyltransferase (NMT) of candida albicans	9154965

PubMed	DOI	Target Context	# Activities
7783114	10.1021/jm00011a001	Peptide N-myristoyltransferase	2
7783114	10.1021/jm00011a001	Unchecked	1
9154965	10.1021/jm9608671	Glycylpeptide N-tetradecanoyltransferase	1
9154965	10.1021/jm9608671	Peptide N-myristoyltransferase	1
9154965	10.1021/jm9608671	Unchecked	1

Data from ChEMBL 36 via Core Engine