Compound Detail

CHEMBL1782889

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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	CHEMBL1782889
Phase	Preclinical
Structure Type	MOL
InChI Key	SFSFKMJTPVEWAE-NTIKOSHWSA-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 6.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Leucyl-cystinyl aminopeptidase CHEMBL2693	Ki	6.16	6.16	697.0	1
Unchecked CHEMBL612545	Ki	6.14	5.795	719.0	2
Aminopeptidase N CHEMBL1907	Ki	5.8	5.8	1571.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Leucyl-cystinyl aminopeptidase	Ki	=	697.0	nM	6.16	Inhibition of catalytic activity of recombinant human IRAP transfected in human ...	21476495
Unchecked	Ki	=	719.0	nM	6.14	Displacement of [3H]AL-11 from IRAP of CHO-K1 cell membrane after 30 mins by sci...	21476495
Aminopeptidase N	Ki	=	1571.0	nM	5.8	Inhibition of catalytic activity of recombinant human AP-N transfected in human ...	21476495
Unchecked	Ki	=	3520.0	nM	5.45	Displacement of [3H]AL-11 from IRAP of CHO-K1 cell membrane preincubated for 40 ...	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