Compound Detail

CHEMBL5175629

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CCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5175629
Phase	Preclinical
Structure Type	MOL
InChI Key	ULRNDODYPXHKOT-MCQRAFFVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1289.6

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C63H92N12O15S
MW	1289.57

Activity Summary

IC50 2 meas. best 6.46

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MKN-74 CHEMBL614048	IC50	6.46	6.46	350.0	1
MKN-7 CHEMBL614355	IC50	4.99	4.99	10180.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MKN-74	IC50	=	350.0	nM	6.46	Anticancer activity against human MKN-74 cells assessed as inhibition of cell gr...	35964520
MKN-7	IC50	=	10180.0	nM	4.99	Anticancer activity against human MKN-7 cells assessed as inhibition of cell gro...	35964520

Literature References

PubMed	DOI	Target Context	# Activities
35964520	10.1016/j.bmc.2022.116953	MKN-7	1
35964520	10.1016/j.bmc.2022.116953	MKN-74	1

Data from ChEMBL 36 via Core Engine