Compound Detail
CHEMBL125553
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Basic Information
| ChEMBL ID | CHEMBL125553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRUBYRGXZQLBRV-MJBXVCDLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
0.78
ALogP
5
HBA
4
HBD
124.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Cathepsin L from human kidney | 11814800 |
| Interstitial collagenase | IC50 | = | 47.0 | nM | 7.33 | Inhibition of Matrix metalloprotease-1 | 11814800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814800 | 10.1016/s0960-894x(01)00755-7 | Interstitial collagenase | 1 |
| 11814800 | 10.1016/s0960-894x(01)00755-7 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine