Compound Detail
CHEMBL440712
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CC(=O)SC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL440712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YETFNSJPTTYKAT-IKGGRYGDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
1.26
ALogP
6
HBA
4
HBD
138.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Low affinity immunoglobulin epsilon Fc receptor CHEMBL2940 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Low affinity immunoglobulin epsilon Fc receptor | IC50 | = | 1000.0 | nM | 6.0 | Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes deriv... | 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