Compound Detail
CHEMBL96654
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Basic Information
| ChEMBL ID | CHEMBL96654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZIOSGXPNNBJBD-RTWAWAEBSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.59
ALogP
4
HBA
4
HBD
107.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
| Low affinity immunoglobulin epsilon Fc receptor CHEMBL2940 | IC50 | 5.72 | 5.72 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity towards human recombinant fibroblast collagenase | 9871622 |
| Interstitial collagenase | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity towards human recombinant fibroblast collagenase | 9871623 |
| Low affinity immunoglobulin epsilon Fc receptor | IC50 | = | 1900.0 | nM | 5.72 | Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes deriv... | 9871622 |
| Low affinity immunoglobulin epsilon Fc receptor | IC50 | = | 1900.0 | nM | 5.72 | Inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM... | 9871623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871622 | 10.1016/s0960-894x(97)10148-2 | Low affinity immunoglobulin epsilon Fc receptor | 1 |
| 9871622 | 10.1016/s0960-894x(97)10148-2 | Interstitial collagenase | 1 |
| 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