Compound Detail

CHEMBL405464

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NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL405464
Phase	Preclinical
Structure Type	BOTH
InChI Key	MQGKGHSCDNCMQG-DZCXQCEKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1038.2

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C45H59N13O12S2
MW	1038.18

Activity Summary

IC50 4 meas. best 8.54

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Angiotensin II receptor (AT-1) type-1 CHEMBL2094250	IC50	8.54	7.7075	2.9	4

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Angiotensin II receptor (AT-1) type-1	IC50	=	2.9	nM	8.54	Inhibitory concentration against [125 I]Ang II binding to rat pituitary membrane...	9083479
Angiotensin II receptor (AT-1) type-1	IC50	=	28.0	nM	7.55	Inhibitory concentration against specific binding of [125 I]Ang II to rat pituit...	9083479
Angiotensin II receptor (AT-1) type-1	IC50	=	43.0	nM	7.37	Inhibitory concentration against specific binding of [125 I]Ang II to rat uterin...	9083479
Angiotensin II receptor (AT-1) type-1	IC50	=	43.0	nM	7.37	Concentration required to 50% inhibition in specific binding of [125- I]A-II to ...	2362273

Literature References

PubMed	DOI	Target Context	# Activities
9083479	10.1021/jm960553d	Angiotensin II receptor (AT-1) type-1	3
2362273	10.1021/jm00169a019	Oryctolagus cuniculus	2
2362273	10.1021/jm00169a019	Angiotensin II receptor (AT-1) type-1	1

Data from ChEMBL 36 via Core Engine