Compound Detail
CHEMBL4162433
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Basic Information
| ChEMBL ID | CHEMBL4162433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKLFQQNBDBBTHX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.36
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.8 | 7.5467 | 16.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 16.0 | nM | 7.8 | Antagonist activity at human H3 receptor | 37012671 |
| Histamine H3 receptor | Ki | = | 37.8 | nM | 7.42 | Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor ex... | 29723785 |
| Histamine H3 receptor | Ki | = | 37.8 | nM | 7.42 | Binding affinity to human H3R | 33261900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29723785 | 10.1016/j.ejmech.2018.04.043 | Mus musculus | 3 |
| 29723785 | 10.1016/j.ejmech.2018.04.043 | Histamine H1 receptor | 3 |
| 29723785 | 10.1016/j.ejmech.2018.04.043 | Unchecked | 3 |
| 29723785 | 10.1016/j.ejmech.2018.04.043 | Rattus norvegicus | 2 |
| 29723785 | 10.1016/j.ejmech.2018.04.043 | ADMET | 1 |
| 29723785 | 10.1016/j.ejmech.2018.04.043 | Histamine H3 receptor | 1 |
| 33261900 | 10.1016/j.ejmech.2020.113041 | Histamine H3 receptor | 1 |
| 37012671 | 10.1021/acs.jmedchem.2c01975 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine