Compound Detail
CHEMBL206364
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COc1ccccc1CCNCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC1
Basic Information
| ChEMBL ID | CHEMBL206364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSKHOFVHGKKMTP-MUUNZHRXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
612.6
MW (Da)
4.06
ALogP
6
HBA
3
HBD
99.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 1.6 | nM | 8.8 | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | 16697187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16697187 | 10.1016/j.bmcl.2006.04.069 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine