Compound Detail
CHEMBL80046
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Basic Information
| ChEMBL ID | CHEMBL80046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQXOQBCTEPZRNB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.26
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Kd | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Kd | = | 125.89 | nM | 6.9 | In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pi... | 1352351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1352351 | 10.1021/jm00091a012 | Rattus norvegicus | 3 |
| 1352351 | 10.1021/jm00091a012 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine