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

CHEMBL353451

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
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)C2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353451
Phase Preclinical
Structure Type MOL
InChI Key GVDQXCDJMFQLTH-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.95
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.51
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 C21H26N2O5S
MW 418.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage metalloelastase
CHEMBL2594
 IC50 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage metalloelastase IC50 = 15.0 nM 7.82 Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]ela... 9871508

Literature References

PubMed DOI Target Context # Activities
9871508 10.1016/s0960-894x(98)00142-5 Macrophage metalloelastase 1

Data from ChEMBL 36 via Core Engine