Compound Detail
CHEMBL285112
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Basic Information
| ChEMBL ID | CHEMBL285112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKHOQKKUOWOUDP-CTNGQTDRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
3.95
ALogP
4
HBA
3
HBD
63.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Matrilysin CHEMBL4073 | Ki | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | Ki | = | 2.3 | nM | 8.64 | Inhibition of human fibroblast collagenase, matrix metalloprotease-1 | - |
| Matrilysin | Ki | = | 114.0 | nM | 6.94 | Inhibition of Matrix metalloprotease-7 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00233-J | Interstitial collagenase | 1 |
| - | 10.1016/0960-894X(95)00233-J | Matrilysin | 1 |
| - | 10.1016/0960-894X(95)00233-J | Stromelysin-1 | 1 |
| - | 10.1016/0960-894X(95)00233-J | 72 kDa type IV collagenase | 1 |
| - | 10.1016/0960-894X(95)00233-J | Neutrophil collagenase | 1 |
Data from ChEMBL 36 via Core Engine