Compound Detail

CHEMBL70571

Enter ChEMBL ID:

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

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL70571
Phase	Preclinical
Structure Type	MOL
InChI Key	JHRIMEDFWCLALJ-PVAVHDDUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

404.5

MW (Da)

0.47

ALogP

HBA

HBD

143.6

PSA (Å²)

0.27

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 9.39

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neutrophil collagenase CHEMBL4588	Ki	9.39	9.39	0.4	1
72 kDa type IV collagenase CHEMBL333	Ki	9.05	9.05	0.9	1
Matrix metalloproteinase-9 CHEMBL321	Ki	8.77	8.77	1.7	1
Unchecked CHEMBL612545	Ki	7.7	7.7	20.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neutrophil collagenase	Ki	=	0.41	nM	9.39	The compound was tested for its binding affinity towards neutrophil collagenase ...	9457244
72 kDa type IV collagenase	Ki	=	0.89	nM	9.05	Binding affinity towards 72 kDa gelatinase (Matrix metalloprotease-2)	9457244
Matrix metalloproteinase-9	Ki	=	1.7	nM	8.77	The compound was tested for its binding affinity towards 92 kDa gelatinase (Matr...	9457244
Unchecked	Ki	=	20.0	nM	7.7	The compound was tested for its binding affinity towards stromelysin.	9457244

PubMed	DOI	Target Context	# Activities
9457244	10.1021/jm970494j	Neutrophil collagenase	1
9457244	10.1021/jm970494j	Matrix metalloproteinase-9	1
9457244	10.1021/jm970494j	72 kDa type IV collagenase	1
9457244	10.1021/jm970494j	Unchecked	1

Data from ChEMBL 36 via Core Engine