Compound Detail

CHEMBL5281642

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Free Research Context This compound will appear in recent viewed items on the research home for this browser.

NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5281642
Phase	Preclinical
Structure Type	MOL
InChI Key	LNGRTLLQSQEXEV-XHNCLXTRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1402.8

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C74H103N19O9
MW	1402.76

Activity Summary

IC50 4 meas. best 4.51

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	4.51	4.51	31000.0	1
A20 CHEMBL613850	IC50	4.43	4.43	37300.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	31000.0	nM	4.51	Cytotoxicity against mouse AT84 cells assessed as inhibition of cell proliferati...	26982623
A20	IC50	=	37300.0	nM	4.43	Cytotoxicity against mouse A20 lymphoma cells assessed as inhibition of cell pro...	26982623

Literature References

PubMed	DOI	Target Context	# Activities
26982623	10.1021/acs.jmedchem.5b02025	MRC5	1
26982623	10.1021/acs.jmedchem.5b02025	A20	1
26982623	10.1021/acs.jmedchem.5b02025	Unchecked	1
38762978	10.1016/j.bmc.2024.117760	A20	1
38762978	10.1016/j.bmc.2024.117760	HepG2	1

Data from ChEMBL 36 via Core Engine