Compound Detail
CHEMBL116756
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
Basic Information
| ChEMBL ID | CHEMBL116756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCEYHKKUIBHLOB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.69
ALogP
4
HBA
2
HBD
82.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | IC50 | 7.82 | 7.82 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Matrix Metalloprotease-3 (MMP-3) | 15214773 |
| Stromelysin-1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of MMP3 (unknown origin) using Ac-Pro-Leu-Gly-[2-mercapto-4-methyl-pe... | 32539387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214773 | 10.1021/jm040031v | Stromelysin-1 | 1 |
| 32539387 | 10.1021/acs.jmedchem.0c00242 | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine