Compound Detail
CHEMBL114673
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Basic Information
| ChEMBL ID | CHEMBL114673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZAXNPDJVFUGDS-SCSAIBSYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
2.00
ALogP
6
HBA
4
HBD
96.0
PSA (Ų)
0.19
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | Ki | = | 18.0 | nM | 7.75 | Inhibition of matrix metalloprotease-3 (MMP-3). | 10669559 |
| 72 kDa type IV collagenase | Ki | = | 3000.0 | nM | 5.52 | Inhibition of matrix metalloprotease-2 (MMP-2). | 10669559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669559 | 10.1021/jm990412m | 72 kDa type IV collagenase | 1 |
| 10669559 | 10.1021/jm990412m | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine