Compound Detail
CHEMBL362010
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O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(c2ccccc2)CC1)C1Cc2ccccc2CN1
Basic Information
| ChEMBL ID | CHEMBL362010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLDGGCOHIFITNC-SSYAZFEXSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
519.0
MW (Da)
3.43
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 3 CHEMBL4644 | Ki | 4.46 | 4.46 | 35000.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 4.44 | 4.44 | 36000.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | Ki | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 3 | Ki | = | 35000.0 | nM | 4.46 | Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH | 15317471 |
| Melanocyte-stimulating hormone receptor | Ki | = | 36000.0 | nM | 4.44 | Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH | 15317471 |
| Melanocortin receptor 5 | Ki | = | 94000.0 | nM | 4.03 | Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH | 15317471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15317471 | 10.1021/jm0311285 | Melanocyte-stimulating hormone receptor | 1 |
| 15317471 | 10.1021/jm0311285 | Melanocortin receptor 3 | 1 |
| 15317471 | 10.1021/jm0311285 | Melanocortin receptor 4 | 1 |
| 15317471 | 10.1021/jm0311285 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine