Compound Detail
CHEMBL458953
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Basic Information
| ChEMBL ID | CHEMBL458953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYRGRVKWHSOLAY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
4.74
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | IC50 | = | 3.0 | nM | 8.52 | Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 ce... | 18841880 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 3900.0 | nM | 5.41 | Antagonist activity at human ERG in HEK293 cells assessed as inhibition of [35S]... | 18841880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18841880 | 10.1021/jm800569w | Histamine H3 receptor | 1 |
| 18841880 | 10.1021/jm800569w | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine