Compound Detail
CHEMBL219072
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Basic Information
| ChEMBL ID | CHEMBL219072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBDZHVJBQBHARX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
3.93
ALogP
2
HBA
0
HBD
26.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 37.0 | nM | 7.43 | Binding affinity at histamine H3 receptor by hH3-[35S]GTPgamma[S] binding assay | 16908150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908150 | 10.1016/j.bmcl.2006.07.093 | Histamine H3 receptor | 1 |
| 16908150 | 10.1016/j.bmcl.2006.07.093 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine