Compound Detail

CHEMBL2364552

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2364552
Phase	Preclinical
Structure Type	BOTH
InChI Key	WCYZYYURIHACQW-IXVZVOFNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1002.2

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C49H71N13O10
MW	1002.19

Activity Summary

Kd 3 meas. best 9.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Angiotensin II receptor CHEMBL2094112	Kd	9.0	9.0	1.0	1
Angiotensin II receptor CHEMBL2094256	Kd	9.0	9.0	1.0	1
Oryctolagus cuniculus CHEMBL374	Kd	9.0	9.0	1.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Oryctolagus cuniculus	Kd	=	1.0	nM	9.0	Antagonist activity pA2, was measured in the in vitro rabbit aorta strip assay	2724307
Angiotensin II receptor	Kd	=	1.0	nM	9.0	In vitro antagonist activity (ANG II like) expressed as percent activity relativ...	1920354
Angiotensin II receptor	Kd	=	1.0	nM	9.0	pA2 value was determined in the range of competitive inhibition in the in vitro ...	3346871

Literature References

PubMed	DOI	Target Context	# Activities
1920354	10.1021/jm00114a012	Angiotensin II receptor	4
2724307	10.1021/jm00126a037	Angiotensin II receptor	2
3346871	10.1021/jm00398a005	Rattus norvegicus	2
2724307	10.1021/jm00126a037	Oryctolagus cuniculus	1
2724307	10.1021/jm00126a037	Rattus norvegicus	1
3346871	10.1021/jm00398a005	Oryctolagus cuniculus	1
3346871	10.1021/jm00398a005	Angiotensin II receptor	1

Data from ChEMBL 36 via Core Engine