Compound Detail
CHEMBL270296
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Basic Information
| ChEMBL ID | CHEMBL270296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHCXISPZIHYKQD-PHDIDXHHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
0.14
ALogP
3
HBA
4
HBD
112.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human recombinant MMP3 | 18257543 |
| Neutrophil collagenase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human recombinant MMP8 | 18257543 |
| Collagenase 3 | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of human recombinant MMP13 | 18257543 |
| Interstitial collagenase | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of human recombinant MMP1 | 18257543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18257543 | 10.1021/jm701087n | Interstitial collagenase | 1 |
| 18257543 | 10.1021/jm701087n | 72 kDa type IV collagenase | 1 |
| 18257543 | 10.1021/jm701087n | Stromelysin-1 | 1 |
| 18257543 | 10.1021/jm701087n | Neutrophil collagenase | 1 |
| 18257543 | 10.1021/jm701087n | Matrix metalloproteinase-9 | 1 |
| 18257543 | 10.1021/jm701087n | Macrophage metalloelastase | 1 |
| 18257543 | 10.1021/jm701087n | Collagenase 3 | 1 |
| 18257543 | 10.1021/jm701087n | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine