Compound Detail

CHEMBL433895

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CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)C(Cc1nnn[nH]1)c1ccccc1-2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL433895
Phase	Preclinical
Structure Type	MOL
InChI Key	DYYWUYUUDYPWON-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

435.5

MW (Da)

4.53

ALogP

HBA

HBD

85.2

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.96

Kd 2 meas. best 9.2

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Angiotensin II receptor CHEMBL2094256	Kd	9.2	9.2	0.6	1
Type-1 angiotensin II receptor CHEMBL3948	Kd	9.2	9.2	0.6	1
Type-1 angiotensin II receptor CHEMBL3374	IC50	7.96	7.96	11.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Angiotensin II receptor	Kd	=	0.631	nM	9.2	Inhibition of angiotensin II-induced contractions in rabbit aorta in vitro.	8576904
Type-1 angiotensin II receptor	Kd	=	0.631	nM	9.2	Antagonist activity at angiotensin AT1 receptor in rabbit aortic strip assessed ...	21071232
Type-1 angiotensin II receptor	IC50	=	11.0	nM	7.96	In vitro antagonistic potency against Angiotensin II receptor, type 1 in rat adr...	8576904
Type-1 angiotensin II receptor	IC50	=	11.0	nM	7.96	Binding affinity to angiotensin AT1 receptor in bovine adrenal cortex membranes	21071232

PubMed	DOI	Target Context	# Activities
21071232	10.1016/j.bmc.2010.10.043	Type-1 angiotensin II receptor	2
8576904	10.1021/jm9504722	Type-1 angiotensin II receptor	1
8576904	10.1021/jm9504722	Angiotensin II receptor	1
8576904	10.1021/jm9504722	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine