Compound Detail

CHEMBL261422

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC[C@H](CC(C)C)C(=O)O)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	CHEMBL261422
Phase	Preclinical
Structure Type	MOL
InChI Key	RFUHKNDCMIJDQD-ZWHHYXARSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

818.0

MW (Da)

2.81

ALogP

HBA

HBD

243.2

PSA (Å²)

0.07

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	7.7	7.665	19.9	2
Leucyl-cystinyl aminopeptidase CHEMBL2693	Ki	6.78	6.78	166.0	1
Aminopeptidase N CHEMBL1907	Ki	4.16	4.16	69183.1	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	19.95	nM	7.7	Displacement of [125]Ang4 from endogenous IRAP in CHOK1 cell membrane in presenc...	18386881
Unchecked	Ki	=	23.44	nM	7.63	Displacement of [125]Ang4 from endogenous IRAP in CHOK1 cell membrane	18386881
Leucyl-cystinyl aminopeptidase	Ki	=	165.96	nM	6.78	Inhibition of human recombinant IRAP expressed in HEK293 cells	18386881
Aminopeptidase N	Ki	=	69183.1	nM	4.16	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