Compound Detail
CHEMBL417017
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Basic Information
| ChEMBL ID | CHEMBL417017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUAQDQKFMONHOQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
3.64
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 7.6 | 7.545 | 25.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 25.12 | nM | 7.6 | Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistami... | 10406649 |
| Histamine H3 receptor | Ki | = | 32.36 | nM | 7.49 | Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistami... | 10406649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10406649 | 10.1016/s0960-894x(99)00272-3 | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine