Compound Detail
CHEMBL272099
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Basic Information
| ChEMBL ID | CHEMBL272099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VADQRJNCGGKONM-OAQYLSRUSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.0
MW (Da)
3.69
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.8
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 16.0 | nM | 7.8 | Agonist activity at human MC4 receptor expressed in HEK293 cells | 18078748 |
| Melanocortin receptor 4 | Ki | = | 23.0 | nM | 7.64 | Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed... | 18078748 |
| Melanocortin receptor 3 | EC50 | = | 230.0 | nM | 6.64 | Agonist activity at human MC3 receptor expressed in HEK293 cells | 18078748 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 2000.0 | nM | 5.7 | Agonist activity at human MC1 receptor expressed in HEK293 cells | 18078748 |
| Melanocortin receptor 3 | Ki | = | 2300.0 | nM | 5.64 | Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed... | 18078748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18078748 | 10.1016/j.bmcl.2007.11.109 | Melanocyte-stimulating hormone receptor | 2 |
| 18078748 | 10.1016/j.bmcl.2007.11.109 | Melanocortin receptor 3 | 2 |
| 18078748 | 10.1016/j.bmcl.2007.11.109 | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine