Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL252268

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOCCC1(Oc2ccc(Oc3cccc(Cl)c3)cc2)C(=O)NC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252268
Phase Preclinical
Structure Type MOL
InChI Key QFTOVLPHYNPHCP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.8
MW (Da)
3.04
ALogP
6
HBA
2
HBD
103.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClN2O6
MW 418.83
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix metalloproteinase-14
CHEMBL3869
 IC50 6.92 6.92 120.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrix metalloproteinase-14 IC50 = 120.23 nM 6.92 Inhibition of MMP14 17275314

Literature References

PubMed DOI Target Context # Activities
17275314 10.1016/j.bmc.2007.01.011 Matrix metalloproteinase-14 1

Data from ChEMBL 36 via Core Engine