Compound Detail
CHEMBL165746
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O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Oc2ccccc2)CC1)[C@H]1Cc2ccccc2CN1
Basic Information
| ChEMBL ID | CHEMBL165746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZKFKZCCUIAMEG-FIRIVFDPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
595.1
MW (Da)
5.22
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.4
Ki 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 400.0 | nM | 6.4 | Agonistic potency towards human melanocortin 4 receptor, determined by 50% maxim... | 14736255 |
| Melanocortin receptor 4 | Ki | = | 640.0 | nM | 6.19 | Binding affinity towards human melanocortin 4 receptor using [125I]NDP-alpha-MSH... | 14736255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736255 | 10.1021/jm0304109 | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine