Compound Detail
CHEMBL103563
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Basic Information
| ChEMBL ID | CHEMBL103563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAIMUZSIIGFZOG-HXUWFJFHSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
3.45
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | Ki | 8.49 | 8.49 | 3.2 | 2 |
| Matrix metalloproteinase-9 CHEMBL321 | Ki | 8.07 | 8.07 | 8.5 | 2 |
| Interstitial collagenase CHEMBL332 | Ki | 5.5 | 5.5 | 3166.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | Ki | = | 3.2 | nM | 8.49 | Inhibition of recombinant human Matrix metalloprotease-2 | 15163180 |
| 72 kDa type IV collagenase | Ki | = | 3.2 | nM | 8.49 | Inhibition of MMP-2 (unknown origin) | 38911171 |
| Matrix metalloproteinase-9 | Ki | = | 8.5 | nM | 8.07 | Inhibition of recombinant human Matrix metalloprotease-9 | 15163180 |
| Matrix metalloproteinase-9 | Ki | = | 8.5 | nM | 8.07 | Inhibition of MMP-9 (unknown origin) | 38911171 |
| Interstitial collagenase | Ki | = | 3166.0 | nM | 5.5 | Inhibition of recombinant human Matrix metalloprotease-1 | 15163180 |
| Interstitial collagenase | Ki | = | 3166.0 | nM | 5.5 | Inhibition of MMP-1 (unknown origin) | 38911171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163180 | 10.1021/jm049833g | Interstitial collagenase | 1 |
| 15163180 | 10.1021/jm049833g | 72 kDa type IV collagenase | 1 |
| 15163180 | 10.1021/jm049833g | Matrix metalloproteinase-9 | 1 |
| 15163180 | 10.1021/jm049833g | Collagenase 3 | 1 |
| 38911171 | 10.1039/d3md00653k | Interstitial collagenase | 1 |
| 38911171 | 10.1039/d3md00653k | 72 kDa type IV collagenase | 1 |
| 38911171 | 10.1039/d3md00653k | Matrix metalloproteinase-9 | 1 |
| 38911171 | 10.1039/d3md00653k | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine