Compound Detail
CHEMBL209682
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CCC(C)[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(OC)c(OC)c2Cl)CC1
Basic Information
| ChEMBL ID | CHEMBL209682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQLADVKDBKSJGJ-HHPDBAQJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
542.0
MW (Da)
5.70
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.44
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 2500.0 | nM | 5.6 | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | 16777413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16777413 | 10.1016/j.bmcl.2006.05.088 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine