Compound Detail

CHEMBL408871

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)Cc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL408871
Phase	Preclinical
Structure Type	MOL
InChI Key	MRLMWPKWBFMCQO-USNFHXRZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

789.0

MW (Da)

1.58

ALogP

HBA

HBD

248.9

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 8.24

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	8.24	7.455	5.8	2
Leucyl-cystinyl aminopeptidase CHEMBL2693	Ki	7.69	7.69	20.4	1
Aminopeptidase N CHEMBL1907	Ki	5.61	5.61	2454.7	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	5.754	nM	8.24	Displacement of [125]Ang4 from endogenous IRAP in CHOK1 cell membrane in presenc...	18386881
Leucyl-cystinyl aminopeptidase	Ki	=	20.42	nM	7.69	Inhibition of human recombinant IRAP expressed in HEK293 cells	18386881
Unchecked	Ki	=	213.8	nM	6.67	Displacement of [125]Ang4 from endogenous IRAP in CHOK1 cell membrane	18386881
Aminopeptidase N	Ki	=	2454.71	nM	5.61	Inhibition of human recombinant APN expressed in HEK293 cells	18386881

PubMed	DOI	Target Context	# Activities
18386881	10.1021/jm701490g	Unchecked	2
18386881	10.1021/jm701490g	Leucyl-cystinyl aminopeptidase	1
18386881	10.1021/jm701490g	Aminopeptidase N	1
18386881	10.1021/jm701490g	Type-1 angiotensin II receptor	1

Data from ChEMBL 36 via Core Engine