Compound Detail
CHEMBL237266
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CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(F)cccc2[C@H](N)CC(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL237266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNZSGTNRPMCZPA-DNQXCXABSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.5
MW (Da)
4.57
ALogP
4
HBA
2
HBD
78.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 6.0 | nM | 8.22 | 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