Compound Detail
CHEMBL112850
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Basic Information
| ChEMBL ID | CHEMBL112850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCHALJTYDYOAAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
3.72
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 22.0 | nM | 7.66 | In vitro inhibitory activity against histamine H3 receptor using [3H]histamine a... | 15163206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163206 | 10.1021/jm031141p | Histamine H3 receptor | 2 |
| 15163206 | 10.1021/jm031141p | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine