Compound Detail

CHEMBL1077582

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1077582
Phase	Preclinical
Structure Type	MOL
InChI Key	HQEOEKZNWMXPAE-UQWHTAPSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

770.9

MW (Da)

2.06

ALogP

HBA

HBD

220.3

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 7.9

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Aminopeptidase N CHEMBL1907	Ki	7.9	7.9	12.6	1
Type-1 angiotensin II receptor CHEMBL227	Ki	6.85	6.85	141.2	1
Leucyl-cystinyl aminopeptidase CHEMBL2693	Ki	5.53	5.53	2951.2	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Aminopeptidase N	Ki	=	12.59	nM	7.9	Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293...	19757839
Type-1 angiotensin II receptor	Ki	=	141.25	nM	6.85	Displacement of [3H]valsartan from human recombinant AT1 receptor expressed in C...	19757839
Leucyl-cystinyl aminopeptidase	Ki	=	2951.21	nM	5.53	Inhibition of catalytic activity of human IRAP transfected in HEK293 cells asses...	19757839

PubMed	DOI	Target Context	# Activities
19757839	10.1021/jm900651p	Aminopeptidase N	2
19757839	10.1021/jm900651p	Leucyl-cystinyl aminopeptidase	2
19757839	10.1021/jm900651p	Type-1 angiotensin II receptor	2
19757839	10.1021/jm900651p	Unchecked	1
19757839	10.1021/jm900651p	ADMET	1

Data from ChEMBL 36 via Core Engine