Compound Detail
CHEMBL205559
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Basic Information
| ChEMBL ID | CHEMBL205559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZFHAECSSWEURN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
195.3
MW (Da)
1.98
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.5
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| Histamine H3 receptor CHEMBL264 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 3.162 | nM | 8.5 | Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in ... | 16610798 |
| Histamine H3 receptor | IC50 | = | 7.943 | nM | 8.1 | Activity against human H3 receptor as measured by CRE-mediated beta galactosidas... | 16610798 |
| Histamine H4 receptor | Ki | = | 79.43 | nM | 7.1 | Displacement of [3H]histamine from human H4 receptor expressed in SK-N-MC cells | 16610798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610798 | 10.1021/jm0504353 | Histamine H3 receptor | 3 |
| 16610798 | 10.1021/jm0504353 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine