Compound Detail
CHEMBL212802
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)c(Cl)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL212802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKYBCMOIKHZIMK-VXLWULRPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
6.59
ALogP
3
HBA
1
HBD
49.6
PSA (Ų)
0.44
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 6.92 | 6.36 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 120.0 | nM | 6.92 | Displacement of [125I]NDP-MSH from human MC4R stably expressed in HEK293 cells | 16824757 |
| Melanocortin receptor 4 | Ki | = | 1600.0 | nM | 5.8 | Displacement of [125I]NDP-MSH from human MC4R stably expressed in HEK293 cells | 16824757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16824757 | 10.1016/j.bmcl.2006.06.075 | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine