Compound Detail
CHEMBL54858
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Basic Information
| ChEMBL ID | CHEMBL54858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEBYRWZZDCMOBY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
-0.50
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 7.07 | 6.9 | 85.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 85.11 | nM | 7.07 | Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistami... | 10406649 |
| Histamine H3 receptor | Ki | = | 186.21 | nM | 6.73 | Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistami... | 10406649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10406649 | 10.1016/s0960-894x(99)00272-3 | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine