Compound Detail
CHEMBL294962
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Basic Information
| ChEMBL ID | CHEMBL294962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSPGHKYLTWJYMS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
5.17
ALogP
3
HBA
0
HBD
16.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.7 | 8.7 | 2.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.9 | hr | Homo sapiens |
| T1/2 | 0.9 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 2.0 | nM | 8.7 | Binding affinity towards human Histamine H3 receptor using [3H]N-methyl-histamin... | 12729661 |
| Histamine H3 receptor | Ki | = | 2.0 | nM | 8.7 | Antagonist activity at human histamine H3 receptor | 21937153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729661 | 10.1016/s0960-894x(03)00299-3 | Histamine H3 receptor | 1 |
| 12729661 | 10.1016/s0960-894x(03)00299-3 | ADMET | 1 |
| 21937153 | 10.1016/j.ejmech.2011.08.042 | Histamine H3 receptor | 1 |
| 21937153 | 10.1016/j.ejmech.2011.08.042 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine