Compound Detail

CHEMBL332891

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL332891
Phase	Preclinical
Structure Type	MOL
InChI Key	SNQRPCRWYVZYNW-YGRLFVJLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

346.4

MW (Da)

0.47

ALogP

HBA

HBD

123.3

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 6.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Matrix metalloproteinase-9 CHEMBL321	Ki	6.3	6.3	500.0	1
Neutrophil collagenase CHEMBL4588	Ki	5.38	5.38	4200.0	1
Interstitial collagenase CHEMBL332	Ki	5.07	5.07	8500.0	1
Stromelysin-1 CHEMBL283	Ki	4.4	4.4	40000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Matrix metalloproteinase-9	Ki	=	500.0	nM	6.3	Inhibition of human Matrix metalloprotease-9	-
Neutrophil collagenase	Ki	=	4200.0	nM	5.38	Inhibition of human Matrix metalloprotease-8	-
Interstitial collagenase	Ki	=	8500.0	nM	5.07	Inhibition of human fibroblast collagenase, matrix metalloprotease-1	-
Stromelysin-1	Ki	=	40000.0	nM	4.4	Inhibition of human fibroblast stromelysin, matrix metalloprotease-3	-

PubMed	DOI	Target Context	# Activities
-	10.1016/0960-894X(95)00033-P	Matrix metalloproteinase-9	1
-	10.1016/0960-894X(95)00033-P	Neutrophil collagenase	1
-	10.1016/0960-894X(95)00033-P	Interstitial collagenase	1
-	10.1016/0960-894X(95)00033-P	Stromelysin-1	1

Data from ChEMBL 36 via Core Engine