Compound Detail
CHEMBL376829
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CCOc1ccc2ccccc2c1CCCCN1CCN(CC(c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL376829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWWNCLLHMVBWRH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
560.8
MW (Da)
6.09
ALogP
5
HBA
0
HBD
22.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 26.0 | nM | 7.58 | Displacement of [125I]Nle4-D-Phe7-alpha-MSH from human MC4 receptor expressed in... | 17234422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17234422 | 10.1016/j.bmc.2006.12.039 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine