Compound Detail

CHEMBL147489

Enter ChEMBL ID:

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

O=C(NO)C1c2ccc(O)cc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL147489
Phase	Preclinical
Structure Type	MOL
InChI Key	YVJXBWDNNWDVMN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

393.4

MW (Da)

1.09

ALogP

HBA

HBD

150.1

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 13 meas. best 9.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Matrix metalloproteinase-9 CHEMBL321	IC50	9.6	8.095	0.2	2
Interstitial collagenase CHEMBL332	IC50	7.39	7.39	41.0	1
Macrophage metalloelastase CHEMBL4393	IC50	7.23	7.23	59.0	1
72 kDa type IV collagenase CHEMBL333	IC50	7.12	7.12	76.0	1
Matrix metalloproteinase-15 CHEMBL2963	IC50	6.9	6.9	126.0	1
Matrix metalloproteinase-16 CHEMBL2200	IC50	6.75	6.75	177.0	1
Matrix metalloproteinase-14 CHEMBL3869	IC50	6.28	6.28	521.0	1
Matrix metalloproteinase-26 CHEMBL4707	IC50	6.1	6.1	791.0	1
Matrilysin CHEMBL4073	IC50	4.67	4.67	21379.6	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Matrix metalloproteinase-9	IC50	=	0.25	nM	9.6	Inhibition of MMP9 (unknown origin)	23287054
Interstitial collagenase	IC50	=	41.0	nM	7.39	Inhibition of matrix metalloprotease-1 (MMP-1)	14684295
Macrophage metalloelastase	IC50	=	59.0	nM	7.23	Inhibition of matrix metalloprotease-12 (MMP-12)	14684295
72 kDa type IV collagenase	IC50	=	76.0	nM	7.12	Inhibition of matrix metalloprotease-2 (MMP-2)	14684295
Matrix metalloproteinase-15	IC50	=	126.0	nM	6.9	Inhibition of matrix metalloprotease-15 (MMP-15)	14684295
Matrix metalloproteinase-16	IC50	=	177.0	nM	6.75	Inhibition of matrix metalloprotease-16 (MMP-16)	14684295
Matrix metalloproteinase-9	IC50	=	258.0	nM	6.59	Inhibition of matrix metalloprotease-9 (MMP-9)	14684295
Matrix metalloproteinase-14	IC50	=	521.0	nM	6.28	Inhibition of matrix metalloprotease-14 (MMP-14)	14684295
Matrix metalloproteinase-26	IC50	=	791.0	nM	6.1	Inhibition of matrix metalloprotease-26 (MMP-26)	14684295
Matrilysin	IC50	=	21420.0	nM	4.67	Inhibition of matrix metalloprotease-7 (MMP-7)	14684295
Matrilysin	IC50	=	21379.62	nM	4.67	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
23287054	10.1016/j.ejmech.2012.10.016	Macrophage metalloelastase	1
23287054	10.1016/j.ejmech.2012.10.016	Interstitial collagenase	1
23287054	10.1016/j.ejmech.2012.10.016	Matrix metalloproteinase-9	1
23287054	10.1016/j.ejmech.2012.10.016	Stromelysin-1	1
23287054	10.1016/j.ejmech.2012.10.016	Collagenase 3	1
23287054	10.1016/j.ejmech.2012.10.016	72 kDa type IV collagenase	1

Data from ChEMBL 36 via Core Engine