Compound Detail
CHEMBL4449790
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Basic Information
| ChEMBL ID | CHEMBL4449790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBVGKTFXWHTVKM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
3.27
ALogP
5
HBA
0
HBD
45.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 5.2 | nM | 8.28 | Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H... | 30448256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30448256 | 10.1016/j.bmc.2018.11.010 | ADMET | 2 |
| 30448256 | 10.1016/j.bmc.2018.11.010 | Rattus norvegicus | 1 |
| 30448256 | 10.1016/j.bmc.2018.11.010 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine