Compound Detail
CHEMBL217593
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Basic Information
| ChEMBL ID | CHEMBL217593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZNNAIHCWWROJM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.34
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.89 | 7.445 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 5.4 | nM | 8.27 | Displacement of [3H]dofetilide from hERG | 17064075 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 13.0 | nM | 7.89 | Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells | 17064075 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 101.0 | nM | 7.0 | Antagonist activity at MCHr1 assessed as inhibition of MCH-mediated calcium ion ... | 17064075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064075 | 10.1021/jm060683e | Melanin-concentrating hormone receptor 1 | 2 |
| 17064075 | 10.1021/jm060683e | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine