Compound Detail
CHEMBL433710
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CCN(CC)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1
Basic Information
| ChEMBL ID | CHEMBL433710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVLYIDBICZMRIN-FIRIVFDPSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
588.2
MW (Da)
4.27
ALogP
5
HBA
2
HBD
67.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.85
EC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.85 | 7.235 | 14.0 | 2 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 7.85 | 7.5333 | 14.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 14.0 | nM | 7.85 | Agonistic potency towards human melanocortin 4 receptor, determined by 50% maxim... | 14736255 |
| Melanocortin receptor 4 | Ki | = | 14.0 | nM | 7.85 | Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor | 16169215 |
| Melanocortin receptor 4 | Ki | = | 34.0 | nM | 7.47 | Binding affinity towards human melanocortin 4 receptor using [125I]NDP-alpha-MSH... | 14736255 |
| Melanocortin receptor 4 | Ki | = | 52.0 | nM | 7.28 | Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 ... | 15357964 |
| Melanocortin receptor 4 | EC50 | = | 240.0 | nM | 6.62 | Effective concentration against cAMP release in CHO cells expressing human melan... | 15357964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357964 | 10.1016/j.bmcl.2004.06.059 | Melanocortin receptor 4 | 3 |
| 14736255 | 10.1021/jm0304109 | Melanocortin receptor 4 | 2 |
| 16169215 | 10.1016/j.bmcl.2005.08.018 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine