Compound Detail

CHEMBL227484

Enter ChEMBL ID:

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

Cc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL227484
Phase	Preclinical
Structure Type	MOL
InChI Key	CJTUBZULFXKTAT-QGZVFWFLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

383.4

MW (Da)

3.10

ALogP

HBA

HBD

103.7

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 16 meas. best 9.41

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neutrophil collagenase CHEMBL4588	IC50	9.41	9.41	0.4	2
72 kDa type IV collagenase CHEMBL333	IC50	8.64	8.64	2.3	2
Collagenase 3 CHEMBL280	IC50	8.48	8.48	3.3	2
Matrix metalloproteinase-9 CHEMBL321	IC50	8.39	8.39	4.1	2
Matrix metalloproteinase-14 CHEMBL3869	IC50	7.96	7.96	11.0	2
Stromelysin-1 CHEMBL283	IC50	7.35	7.35	45.0	2
Interstitial collagenase CHEMBL332	IC50	7.01	7.01	98.0	2
Matrilysin CHEMBL4073	IC50	6.82	6.82	150.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neutrophil collagenase	IC50	=	0.39	nM	9.41	Inhibition of MMP8	17088065
Neutrophil collagenase	IC50	=	0.39	nM	9.41	Inhibition of MMP8	17088065
72 kDa type IV collagenase	IC50	=	2.3	nM	8.64	Inhibition of human recombinant MMP2 expressed in mouse myeloma cells	17088065
72 kDa type IV collagenase	IC50	=	2.3	nM	8.64	Inhibition of human recombinant MMP2 expressed in mouse myeloma cells	17088065
Collagenase 3	IC50	=	3.3	nM	8.48	Inhibition of MMP13	17088065
Collagenase 3	IC50	=	3.3	nM	8.48	Inhibition of MMP13	17088065
Matrix metalloproteinase-9	IC50	=	4.1	nM	8.39	Inhibition of human recombinant MMP9 expressed in mouse myeloma cells	17088065
Matrix metalloproteinase-9	IC50	=	4.1	nM	8.39	Inhibition of human recombinant MMP9 expressed in mouse myeloma cells	17088065
Matrix metalloproteinase-14	IC50	=	11.0	nM	7.96	Inhibition of MMP14	17088065
Matrix metalloproteinase-14	IC50	=	11.0	nM	7.96	Inhibition of MMP14	17088065
Stromelysin-1	IC50	=	45.0	nM	7.35	Inhibition of MMP3	17088065
Stromelysin-1	IC50	=	45.0	nM	7.35	Inhibition of MMP3	17088065
Interstitial collagenase	IC50	=	98.0	nM	7.01	Inhibition of MMP1	17088065
Interstitial collagenase	IC50	=	98.0	nM	7.01	Inhibition of MMP1	17088065
Matrilysin	IC50	=	150.0	nM	6.82	Inhibition of MMP7	17088065
Matrilysin	IC50	=	150.0	nM	6.82	Inhibition of MMP7	17088065

PubMed	DOI	Target Context	# Activities
17088065	10.1016/j.bmc.2006.10.047	Interstitial collagenase	2
17088065	10.1016/j.bmc.2006.10.047	72 kDa type IV collagenase	2
17088065	10.1016/j.bmc.2006.10.047	Stromelysin-1	2
17088065	10.1016/j.bmc.2006.10.047	Matrilysin	2
17088065	10.1016/j.bmc.2006.10.047	Neutrophil collagenase	2
17088065	10.1016/j.bmc.2006.10.047	Matrix metalloproteinase-9	2
17088065	10.1016/j.bmc.2006.10.047	Collagenase 3	2
17088065	10.1016/j.bmc.2006.10.047	Matrix metalloproteinase-14	2

Data from ChEMBL 36 via Core Engine