Compound Detail
CHEMBL213380
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Basic Information
| ChEMBL ID | CHEMBL213380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIFYVTWZHBRVAT-QFIPXVFZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
5.46
ALogP
3
HBA
1
HBD
49.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 110.0 | nM | 6.96 | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells | 16777413 |
| Melanocortin receptor 5 | Ki | = | 1200.0 | nM | 5.92 | Displacement of [125I]NDP-MSH from human MC5R expressed in HEK293 cells | 16777413 |
| Melanocortin receptor 3 | Ki | = | 1400.0 | nM | 5.85 | Displacement of [125I]NDP-MSH from human MC3R expressed in HEK293 cells | 16777413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16777413 | 10.1016/j.bmcl.2006.05.088 | Melanocortin receptor 5 | 1 |
| 16777413 | 10.1016/j.bmcl.2006.05.088 | Melanocortin receptor 3 | 1 |
| 16777413 | 10.1016/j.bmcl.2006.05.088 | Melanocortin receptor 4 | 1 |
| 16777413 | 10.1016/j.bmcl.2006.05.088 | Melanocyte-stimulating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine