Compound Detail
CHEMBL439645
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Basic Information
| ChEMBL ID | CHEMBL439645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAQIDFISILZVAV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.61
ALogP
3
HBA
0
HBD
40.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.38 | 8.375 | 4.2 | 2 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.33 | 7.33 | 46.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 4.2 | nM | 8.38 | Binding potency was determined by displacement of [3H]N-alpha-methyl histamine f... | 14741270 |
| Histamine H3 receptor | Ki | = | 4.266 | nM | 8.37 | Binding potency was determined by displacement of [3H]N-alpha-methyl histamine f... | 14741270 |
| Histamine H3 receptor | Ki | = | 47.0 | nM | 7.33 | Binding potency was determined by displacement of [3H]N-alpha-methyl histamine f... | 14741270 |
| Histamine H3 receptor | Ki | = | 46.77 | nM | 7.33 | Binding potency was determined by displacement of [3H]N-alpha-methyl histamine f... | 14741270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741270 | 10.1016/j.bmcl.2003.11.032 | Histamine H3 receptor | 4 |
Data from ChEMBL 36 via Core Engine