Compound Detail
CHEMBL20686
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Basic Information
| ChEMBL ID | CHEMBL20686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEQTUMPCLZAZJB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
3.60
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.1 | 7.6867 | 7.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 7.943 | nM | 8.1 | Binding affinity towards Histamine H3 receptor on synaptosomes from rat cerebral... | 8632428 |
| Histamine H3 receptor | Ki | = | 31.62 | nM | 7.5 | In vitro antagonistic activity tested against Histamine H3 receptor on synaptoso... | 8632428 |
| Histamine H3 receptor | Ki | = | 35.0 | nM | 7.46 | In vitro antagonistic activity tested against Histamine H3 receptor on synaptoso... | 8632428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632428 | 10.1021/jm9504767 | Histamine H3 receptor | 3 |
| 8632428 | 10.1021/jm9504767 | Histamine H2 receptor | 1 |
| 8632428 | 10.1021/jm9504767 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine