Compound Detail
CHEMBL127861
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CCN(C(C)=O)C(C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)N2CCC2)Cc2ccc(Cl)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL127861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFOFQXPKMMXUCQ-TUXUZCGSSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
539.1
MW (Da)
4.40
ALogP
4
HBA
0
HBD
64.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.47
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 19.0 | nM | 7.72 | Inhibitory activity against [125I]NDP-alpha-MSH binding to the human melanocorti... | 14698163 |
| Melanocortin receptor 4 | EC50 | = | 340.0 | nM | 6.47 | Intracellular level of cAMP in cells expressing the melanocortin 4 receptor | 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