Compound Detail

CHEMBL1782890

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N[C@H]1CC/C=C\CC[C@@H](C(=O)NCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1782890
Phase	Preclinical
Structure Type	MOL
InChI Key	SFSFKMJTPVEWAE-BJFNZQINSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

448.6

MW (Da)

1.97

ALogP

HBA

HBD

113.3

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 6.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	6.54	6.0	287.0	2
Leucyl-cystinyl aminopeptidase CHEMBL2693	Ki	6.46	6.46	351.0	1
Aminopeptidase N CHEMBL1907	Ki	4.92	4.92	12000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	287.0	nM	6.54	Displacement of [3H]AL-11 from IRAP of CHO-K1 cell membrane after 30 mins by sci...	21476495
Leucyl-cystinyl aminopeptidase	Ki	=	351.0	nM	6.46	Inhibition of catalytic activity of recombinant human IRAP transfected in human ...	21476495
Unchecked	Ki	=	3468.0	nM	5.46	Displacement of [3H]AL-11 from IRAP of CHO-K1 cell membrane preincubated for 40 ...	21476495
Aminopeptidase N	Ki	=	12000.0	nM	4.92	Inhibition of catalytic activity of recombinant human AP-N transfected in human ...	21476495

PubMed	DOI	Target Context	# Activities
21476495	10.1021/jm200036n	Unchecked	2
21476495	10.1021/jm200036n	Leucyl-cystinyl aminopeptidase	1
21476495	10.1021/jm200036n	Aminopeptidase N	1

Data from ChEMBL 36 via Core Engine