Compound Detail
CHEMBL39921
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Basic Information
| ChEMBL ID | CHEMBL39921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQFFLMZJIVBXJZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
2.49
ALogP
6
HBA
1
HBD
114.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 1300.0 | nM | 5.89 | In vitro inhibition of human Matrix metalloprotease-2. | 11412980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412980 | 10.1016/s0960-894x(01)00032-4 | Interstitial collagenase | 1 |
| 11412980 | 10.1016/s0960-894x(01)00032-4 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine