Compound Detail

CHEMBL344453

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COc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2C(=O)NO)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL344453
Phase	Preclinical
Structure Type	MOL
InChI Key	MIWJQVMHJSFHGV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

364.4

MW (Da)

-1.01

ALogP

HBA

HBD

130.1

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.74

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Collagenase 3 CHEMBL280	IC50	7.74	7.74	18.4	1
Interstitial collagenase CHEMBL332	IC50	6.16	6.16	688.0	1
Stromelysin-1 CHEMBL283	IC50	6.13	6.13	737.0	1
Matrilysin CHEMBL4073	IC50	4.89	4.89	12848.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Collagenase 3	IC50	=	18.4	nM	7.74	In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13).	10579818
Interstitial collagenase	IC50	=	688.0	nM	6.16	In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprot...	10579818
Stromelysin-1	IC50	=	737.0	nM	6.13	In vitro inhibitory activity against matrix metalloprotease-3.	10579818
Matrilysin	IC50	=	12848.0	nM	4.89	In vitro inhibitory activity against matrilysin (matrix metalloprotease-7).	10579818

PubMed	DOI	Target Context	# Activities
10579818	10.1021/jm990330y	Interstitial collagenase	1
10579818	10.1021/jm990330y	Stromelysin-1	1
10579818	10.1021/jm990330y	Matrilysin	1
10579818	10.1021/jm990330y	Collagenase 3	1

Data from ChEMBL 36 via Core Engine