Compound Detail
CHEMBL44842
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Basic Information
| ChEMBL ID | CHEMBL44842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCHWOAFFMPDWIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.6
MW (Da)
4.69
ALogP
3
HBA
2
HBD
53.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 12.59 | nM | 7.9 | Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in ho... | 11356102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356102 | 10.1021/jm001109k | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine