Compound Detail
CHEMBL116318
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Basic Information
| ChEMBL ID | CHEMBL116318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UICDMTYNXJBPNZ-PKTZIBPZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
3.16
ALogP
4
HBA
4
HBD
107.5
PSA (Ų)
0.20
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Stromelysin-1 CHEMBL283 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Interstitial collagenase CHEMBL332 | Ki | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | Ki | = | 1.3 | nM | 8.89 | Inhibition of human Matrix metalloprotease-9 | - |
| Stromelysin-1 | Ki | = | 11.0 | nM | 7.96 | Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 | - |
| Interstitial collagenase | Ki | = | 8400.0 | nM | 5.08 | Inhibition of human fibroblast collagenase, matrix metalloprotease-1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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 |
Data from ChEMBL 36 via Core Engine