Compound Detail
CHEMBL185195
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O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1)C1Cc2ccccc2CN1
Basic Information
| ChEMBL ID | CHEMBL185195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOGSKNWLMZTMHU-SSYAZFEXSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
503.1
MW (Da)
3.43
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | Ki | = | 13000.0 | nM | 4.89 | Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH | 15317471 |
| Melanocortin receptor 3 | Ki | = | 15000.0 | nM | 4.82 | Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH | 15317471 |
| Melanocortin receptor 5 | Ki | = | 17000.0 | nM | 4.77 | Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH | 15317471 |
| Melanocortin receptor 4 | Ki | = | 30000.0 | nM | 4.52 | Binding affinity towards Melanocortin 4 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