Compound Detail
CHEMBL322050
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NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc2ccccc2s1)[C@H](O)C(=O)NO
Basic Information
| ChEMBL ID | CHEMBL322050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYBJSJBMMZVDPB-AOIWGVFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
1.14
ALogP
6
HBA
5
HBD
141.8
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Low affinity immunoglobulin epsilon Fc receptor CHEMBL2940 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Low affinity immunoglobulin epsilon Fc receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against IgE receptor | 10560745 |
| Interstitial collagenase | IC50 | = | 140.0 | nM | 6.85 | Inhibitory activity against matrix metalloprotease (MMP-1) | 10560745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10560745 | 10.1016/s0960-894x(99)00552-1 | Low affinity immunoglobulin epsilon Fc receptor | 1 |
| 10560745 | 10.1016/s0960-894x(99)00552-1 | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine