Compound Detail
CHEMBL410259
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Basic Information
| ChEMBL ID | CHEMBL410259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABOVSYRJLZIGMD-CTNGQTDRSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.22
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.22
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Interstitial collagenase CHEMBL332 | Ki | 8.1 | 8.1 | 8.0 | 3 |
| Stromelysin-1 CHEMBL283 | Ki | 7.55 | 7.55 | 28.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | Ki | = | 1.2 | nM | 8.92 | Inhibition of human Matrix metalloprotease-9 | - |
| Interstitial collagenase | Ki | = | 8.0 | nM | 8.1 | Inhibitory potency against human fibroblast collagenase, MMP-1 | 7629797 |
| Interstitial collagenase | Ki | = | 8.0 | nM | 8.1 | Inhibition of human fibroblast collagenase, matrix metalloprotease-1 | - |
| Interstitial collagenase | Ki | = | 8.0 | nM | 8.1 | Inhibition of human fibroblast collagenase, matrix metalloprotease-1 | - |
| Stromelysin-1 | Ki | = | 28.0 | nM | 7.55 | Inhibitory potency against human stromelysin, MMP-3 | 7629797 |
| Stromelysin-1 | Ki | = | 28.0 | nM | 7.55 | Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 | - |
| Stromelysin-1 | Ki | = | 28.0 | nM | 7.55 | Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 | - |
| Stromelysin-1 | Ki | = | 28.18 | nM | 7.55 | Inhibition of MMP3 | 17275314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00032-O | Stromelysin-1 | 2 |
| 7629797 | 10.1021/jm00014a010 | Interstitial collagenase | 1 |
| 7629797 | 10.1021/jm00014a010 | Stromelysin-1 | 1 |
| 7629797 | 10.1021/jm00014a010 | Neutrophil collagenase | 1 |
| - | 10.1016/0960-894X(95)00032-O | Interstitial collagenase | 1 |
| - | 10.1016/0960-894X(95)00032-O | Neutrophil collagenase | 1 |
| - | 10.1016/0960-894X(95)00033-P | Matrix metalloproteinase-9 | 1 |
| - | 10.1016/0960-894X(95)00033-P | Neutrophil collagenase | 1 |
| - | 10.1016/0960-894X(95)00033-P | Interstitial collagenase | 1 |
| - | 10.1016/0960-894X(95)00033-P | Stromelysin-1 | 1 |
| 17275314 | 10.1016/j.bmc.2007.01.011 | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine