Compound Detail
CHEMBL455266
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Basic Information
| ChEMBL ID | CHEMBL455266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMXALEKLGZDBSD-LJQANCHMSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.39
ALogP
3
HBA
1
HBD
50.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.1
Kd 1 meas. best 5.65
Ki 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 7.1 | 7.1 | 79.4 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.05 | 7.05 | 89.1 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 5.65 | 5.65 | 2238.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 79.43 | nM | 7.1 | Agonist activity at human histamine H3 receptor assessed as effect on [35S]GTPga... | 18433114 |
| Histamine H3 receptor | Ki | = | 89.13 | nM | 7.05 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 18433114 |
| Histamine H3 receptor | Kd | = | 2238.72 | nM | 5.65 | Antagonist activity at guinea pig histamine H3 receptor assessed as inhibition o... | 18433114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18433114 | 10.1021/jm7014149 | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine