Compound Detail
CHEMBL172857
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Basic Information
| ChEMBL ID | CHEMBL172857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTSDPRIBDLXKCA-GZAIGYLVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.01
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | IC50 | 6.22 | 6.22 | 608.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | IC50 | = | 608.0 | nM | 6.22 | Inhibition of human matrix metalloprotease 1 | 9888835 |
| Stromelysin-1 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human matrix metalloprotease-3 | 9888835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9888835 | 10.1021/jm980142s | Interstitial collagenase | 1 |
| 9888835 | 10.1021/jm980142s | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine