Compound Detail

CHEMBL2165410

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N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2165410
Phase	Preclinical
Structure Type	BOTH
InChI Key	ZXORLLJNASICEY-FACPCSDQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1847.8

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C71H114N24O34
MW	1847.83

Activity Summary

IC50 2 meas. best 4.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fatty acid synthase CHEMBL4158	IC50	4.96	4.96	11000.0	1
Fatty acid synthase CHEMBL1795136	IC50	4.8	4.8	16000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fatty acid synthase	IC50	=	11000.0	nM	4.96	Inhibition of human recombinant FASN thioesterase domain	21726077
Fatty acid synthase	IC50	=	16000.0	nM	4.8	Inhibition of chicken liver FASN ketoreductase activity	21726077

Literature References

PubMed	DOI	Target Context	# Activities
21726077	10.1021/jm2005805	Fatty acid synthase	2

Data from ChEMBL 36 via Core Engine