Compound Detail
CHEMBL1234370
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Basic Information
| ChEMBL ID | CHEMBL1234370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYYCSKFJEOSZTF-CYBMUJFWSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
1.48
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil collagenase CHEMBL4588 | IC50 | 6.05 | 6.05 | 881.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 5.63 | 5.63 | 2330.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.54 | 5.54 | 2905.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.11 | 5.11 | 7780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil collagenase | IC50 | = | 881.0 | nM | 6.05 | Inhibition of neutrophil collagenase (Matrix metalloprotease-8) | 10579818 |
| Matrix metalloproteinase-9 | IC50 | = | 1390.0 | nM | 5.86 | Inhibition of gelatinase-B (Matrix metalloprotease-9) | 10579818 |
| Collagenase 3 | IC50 | = | 2330.0 | nM | 5.63 | In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13). | 10579818 |
| 72 kDa type IV collagenase | IC50 | = | 2905.0 | nM | 5.54 | In vitro inhibitory activity against gelatinase-A (matrix metalloprotease-2). | 10579818 |
| Interstitial collagenase | IC50 | = | 7780.0 | nM | 5.11 | 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 | 72 kDa type IV collagenase | 1 |
| 10579818 | 10.1021/jm990330y | Stromelysin-1 | 1 |
| 10579818 | 10.1021/jm990330y | Matrilysin | 1 |
| 10579818 | 10.1021/jm990330y | Neutrophil collagenase | 1 |
| 10579818 | 10.1021/jm990330y | Matrix metalloproteinase-9 | 1 |
| 10579818 | 10.1021/jm990330y | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine