Compound Detail
CHEMBL5200591
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Basic Information
| ChEMBL ID | CHEMBL5200591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPZPBBWWIDJKDB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.0
MW (Da)
0.00
ALogP
4
HBA
4
HBD
140.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase ColQ1 CHEMBL5169213 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase ColQ1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Bacillus cereus collagenase unit of N-terminal His6-tagged ColQ1 e... | 36154055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36154055 | 10.1021/acs.jmedchem.2c00785 | Collagenase ColQ1 | 4 |
| 36154055 | 10.1021/acs.jmedchem.2c00785 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine