Compound Detail
CHEMBL320798
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CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccccc1C(=O)OC)C(=O)NO
Basic Information
| ChEMBL ID | CHEMBL320798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBTHKLMTSOWADI-FSSWDIPSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
2.82
ALogP
7
HBA
4
HBD
133.8
PSA (Ų)
0.14
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Low affinity immunoglobulin epsilon Fc receptor CHEMBL2940 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | IC50 | = | 21.0 | nM | 7.68 | Inhibitory activity towards human recombinant fibroblast collagenase | 9871623 |
| Low affinity immunoglobulin epsilon Fc receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM... | 9871623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871623 | 10.1016/s0960-894x(97)10149-4 | Low affinity immunoglobulin epsilon Fc receptor | 1 |
| 9871623 | 10.1016/s0960-894x(97)10149-4 | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine