Compound Detail
CHEMBL216482
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Basic Information
| ChEMBL ID | CHEMBL216482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLKBWMPLNFUMFD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.17
ALogP
5
HBA
2
HBD
95.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Melanin-concentrating hormone receptor CHEMBL2111437 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.07 | 4.07 | 85500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 7.0 | nM | 8.15 | Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells | 17234405 |
| Melanin-concentrating hormone receptor | IC50 | = | 162.0 | nM | 6.79 | Inhibition of MCH-mediated calcium release in IMR-32 cells | 17234405 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 85500.0 | nM | 4.07 | Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates | 17234405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17234405 | 10.1016/j.bmcl.2006.11.065 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17234405 | 10.1016/j.bmcl.2006.11.065 | Melanin-concentrating hormone receptor 1 | 1 |
| 17234405 | 10.1016/j.bmcl.2006.11.065 | No relevant target | 1 |
| 17234405 | 10.1016/j.bmcl.2006.11.065 | Melanin-concentrating hormone receptor | 1 |
| 17234405 | 10.1016/j.bmcl.2006.11.065 | Melanin-concentrating hormone receptor 2/HERG | 1 |
Data from ChEMBL 36 via Core Engine