Compound Detail
CHEMBL362985
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Basic Information
| ChEMBL ID | CHEMBL362985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLGLZEJKMBCODK-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
546.8
MW (Da)
5.70
ALogP
5
HBA
0
HBD
22.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.09
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.09 | 7.8833 | 8.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 7.9 | nM | 8.1 | Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using ... | 15863313 |
| Melanocortin receptor 4 | IC50 | = | 8.13 | nM | 8.09 | Displacement of [125I]Nle4-D-Phe7-alpha-MSH from human MC4 receptor expressed in... | 17234422 |
| Melanocortin receptor 4 | IC50 | = | 12.7 | nM | 7.9 | Displacement of [125I]Nle4-D-Phe7-alpha-MSH from human MC4 receptor expressed in... | 17234422 |
| Melanocortin receptor 4 | IC50 | = | 22.0 | nM | 7.66 | 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 | 3 |
| 15863313 | 10.1016/j.bmcl.2005.03.053 | Melanocortin receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine