Compound Detail
CHEMBL322039
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Basic Information
| ChEMBL ID | CHEMBL322039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHZVRUPVXVUMTK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
3.44
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.01
Ki 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.08 | 8.08 | 8.4 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.01 | 7.01 | 98.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 8.4 | nM | 8.08 | In vitro inhibitory activity against histamine H3 receptor using [3H]histamine a... | 15163206 |
| Rattus norvegicus | EC50 | = | 98.0 | nM | 7.01 | In vitro effective concentration of compound required to reduce histamine releas... | 15163206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163206 | 10.1021/jm031141p | Histamine H3 receptor | 2 |
| 15163206 | 10.1021/jm031141p | Mus musculus | 2 |
| 15163206 | 10.1021/jm031141p | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine