Compound Detail
CHEMBL403722
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Basic Information
| ChEMBL ID | CHEMBL403722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDPKKXZLQXHONB-ROPPNANJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
2.69
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 3 CHEMBL4644 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 3 | Ki | = | 4500.0 | nM | 5.35 | Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed... | 18078748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18078748 | 10.1016/j.bmcl.2007.11.109 | Melanocyte-stimulating hormone receptor | 2 |
| 18078748 | 10.1016/j.bmcl.2007.11.109 | Melanocortin receptor 3 | 2 |
| 18078748 | 10.1016/j.bmcl.2007.11.109 | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine