Compound Detail
CHEMBL2113150
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CCN(CC)C1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1
Basic Information
| ChEMBL ID | CHEMBL2113150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIKHCYUMNOKBJZ-MZVQHKJNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
628.3
MW (Da)
4.63
ALogP
5
HBA
2
HBD
67.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 170.0 | nM | 6.77 | Inhibition of [125I]-NDP MSH binding towards human melanocortin 4 receptor | 16112861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16112861 | 10.1016/j.bmcl.2005.07.035 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine