Compound Detail
CHEMBL140569
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Basic Information
| ChEMBL ID | CHEMBL140569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZPOCZWOYXDPDG-SFHVURJKSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
3.26
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 7.96 | 7.96 | 11.0 | 2 |
| Matrilysin CHEMBL4073 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | IC50 | = | 2.3 | nM | 8.64 | In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprot... | 10579818 |
| Stromelysin-1 | IC50 | = | 11.0 | nM | 7.96 | In vitro inhibitory activity against matrix metalloprotease-3. | 10579818 |
| Stromelysin-1 | IC50 | = | 10.96 | nM | 7.96 | Inhibition of MMP3 | 17275314 |
| Matrilysin | IC50 | = | 16.0 | nM | 7.8 | In vitro inhibitory activity against matrilysin (matrix metalloprotease-7). | 10579818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579818 | 10.1021/jm990330y | Interstitial collagenase | 1 |
| 10579818 | 10.1021/jm990330y | 72 kDa type IV collagenase | 1 |
| 10579818 | 10.1021/jm990330y | Stromelysin-1 | 1 |
| 10579818 | 10.1021/jm990330y | Matrilysin | 1 |
| 10579818 | 10.1021/jm990330y | Collagenase 3 | 1 |
| 17275314 | 10.1016/j.bmc.2007.01.011 | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine