Compound Detail
CHEMBL14811
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Basic Information
| ChEMBL ID | CHEMBL14811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSBRTBBFZFRZEJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.4
MW (Da)
3.76
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.46 | 8.46 | 3.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 3.5 | nM | 8.46 | Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor | 9871722 |
| Histamine H3 receptor | Ki | = | 3.5 | nM | 8.46 | Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]Nalph... | 10072687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871722 | 10.1016/s0960-894x(98)00181-4 | Histamine H3 receptor | 1 |
| 10072687 | 10.1021/jm980310g | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine