Compound Detail

CHEMBL147882

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Cc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3C2C(=O)NO)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL147882
Phase	Preclinical
Structure Type	MOL
InChI Key	PFIFGQWOKBQYID-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

362.4

MW (Da)

1.49

ALogP

HBA

HBD

106.9

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 7.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
72 kDa type IV collagenase CHEMBL333	IC50	7.75	7.75	18.0	1
Matrix metalloproteinase-15 CHEMBL2963	IC50	7.72	7.72	19.0	1
Matrix metalloproteinase-16 CHEMBL2200	IC50	7.68	7.68	21.0	1
Macrophage metalloelastase CHEMBL4393	IC50	7.54	7.54	29.0	1
Matrix metalloproteinase-9 CHEMBL321	IC50	7.4	7.4	40.0	1
Matrix metalloproteinase-14 CHEMBL3869	IC50	7.28	7.28	52.0	1
Matrix metalloproteinase-26 CHEMBL4707	IC50	7.01	7.01	97.0	1
Interstitial collagenase CHEMBL332	IC50	6.82	6.82	152.0	1
Matrilysin CHEMBL4073	IC50	4.98	4.98	10471.3	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
72 kDa type IV collagenase	IC50	=	18.0	nM	7.75	Inhibition of matrix metalloprotease-2 (MMP-2)	14684295
Matrix metalloproteinase-15	IC50	=	19.0	nM	7.72	Inhibition of matrix metalloprotease-15 (MMP-15)	14684295
Matrix metalloproteinase-16	IC50	=	21.0	nM	7.68	Inhibition of matrix metalloprotease-16 (MMP-16)	14684295
Macrophage metalloelastase	IC50	=	29.0	nM	7.54	Inhibition of matrix metalloprotease-12 (MMP-12)	14684295
Matrix metalloproteinase-9	IC50	=	40.0	nM	7.4	Inhibition of matrix metalloprotease-9 (MMP-9)	14684295
Matrix metalloproteinase-14	IC50	=	52.0	nM	7.28	Inhibition of matrix metalloprotease-14 (MMP-14)	14684295
Matrix metalloproteinase-26	IC50	=	97.0	nM	7.01	Inhibition of matrix metalloprotease-26 (MMP-26)	14684295
Interstitial collagenase	IC50	=	152.0	nM	6.82	Inhibition of matrix metalloprotease-1 (MMP-1)	14684295
Matrilysin	IC50	=	10500.0	nM	4.98	Inhibition of matrix metalloprotease-7 (MMP-7)	14684295
Matrilysin	IC50	=	10471.29	nM	4.98	Inhibition of MMP7	17275314

PubMed	DOI	Target Context	# Activities
14684295	10.1016/j.bmcl.2003.10.026	Interstitial collagenase	1
14684295	10.1016/j.bmcl.2003.10.026	72 kDa type IV collagenase	1
14684295	10.1016/j.bmcl.2003.10.026	Matrilysin	1
14684295	10.1016/j.bmcl.2003.10.026	Matrix metalloproteinase-9	1
14684295	10.1016/j.bmcl.2003.10.026	Macrophage metalloelastase	1
14684295	10.1016/j.bmcl.2003.10.026	Matrix metalloproteinase-14	1
14684295	10.1016/j.bmcl.2003.10.026	Matrix metalloproteinase-15	1
14684295	10.1016/j.bmcl.2003.10.026	Matrix metalloproteinase-16	1
14684295	10.1016/j.bmcl.2003.10.026	Matrix metalloproteinase-26	1
17275314	10.1016/j.bmc.2007.01.011	Matrilysin	1

Data from ChEMBL 36 via Core Engine