Compound Detail
CHEMBL470840
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Basic Information
| ChEMBL ID | CHEMBL470840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMXCMVHRPXVCAT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
3.89
ALogP
6
HBA
0
HBD
56.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.98 | 6.98 | 104.7 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 104.71 | nM | 6.98 | Antagonist activity at MCH1R expressed in CHO cells assessed as intracellular Ca... | 19290642 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 7300.0 | nM | 5.14 | Displacement of [3H]astemizole from human ERG expressed in HEK293 cells | 19290642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19290642 | 10.1021/jm8016199 | Melanin-concentrating hormone receptor 1 | 1 |
| 19290642 | 10.1021/jm8016199 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine