Compound Detail
CHEMBL568892
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Basic Information
| ChEMBL ID | CHEMBL568892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIZHXXNZJUOENQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
5.44
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expr... | 19660947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19660947 | 10.1016/j.bmcl.2009.07.047 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19660947 | 10.1016/j.bmcl.2009.07.047 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine