Compound Detail
CHEMBL236872
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CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL236872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWQJQMUYAJRYAV-AHWVRZQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
565.1
MW (Da)
5.29
ALogP
4
HBA
1
HBD
69.9
PSA (Ų)
0.47
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.06 | 8.06 | 8.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 8.8 | nM | 8.06 | Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells | 17544282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17544282 | 10.1016/j.bmc.2007.05.026 | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine