Compound Detail
CHEMBL332443
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CCOC(=O)N1CCN(C(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3N(CC3CC3)S(C)(=O)=O)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL332443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JERVARGQNLUPFY-MHZLTWQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
674.3
MW (Da)
3.71
ALogP
7
HBA
0
HBD
110.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 1.4 | nM | 8.85 | Inhibitory activity against [125I]NDP-alpha-MSH binding to the human melanocorti... | 14698163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698163 | 10.1016/j.bmcl.2003.10.056 | Melanocortin receptor 4 | 3 |
| 14698163 | 10.1016/j.bmcl.2003.10.056 | Melanocyte-stimulating hormone receptor | 1 |
| 14698163 | 10.1016/j.bmcl.2003.10.056 | Melanocortin receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine