Compound Detail
CHEMBL498228
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Basic Information
| ChEMBL ID | CHEMBL498228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJXFZKXYKKBTDR-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.91
ALogP
4
HBA
0
HBD
39.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
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 |
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 to histamine H3 receptor | 19456097 |
| Histamine H3 receptor | Ki | = | 1.995 | nM | 8.7 | Binding affinity to human H3R | 33261900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19456097 | 10.1021/jm900409x | Histamine H3 receptor | 1 |
| 33261900 | 10.1016/j.ejmech.2020.113041 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine