Compound Detail
CHEMBL357233
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 | CHEMBL357233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSVAOOCBANMUMS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
-0.41
ALogP
6
HBA
2
HBD
105.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 7.3 | 7.3 | 49.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 1.0 | nM | 9.0 | In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13). | 10579818 |
| Stromelysin-1 | IC50 | = | 5.8 | nM | 8.24 | In vitro inhibitory activity against matrix metalloprotease-3. | 10579818 |
| Interstitial collagenase | IC50 | = | 49.5 | nM | 7.3 | In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprot... | 10579818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579818 | 10.1021/jm990330y | Interstitial collagenase | 1 |
| 10579818 | 10.1021/jm990330y | Stromelysin-1 | 1 |
| 10579818 | 10.1021/jm990330y | Matrilysin | 1 |
| 10579818 | 10.1021/jm990330y | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine