Compound Detail
CHEMBL1767158
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Basic Information
| ChEMBL ID | CHEMBL1767158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEYDBWKMXFZENQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.9
MW (Da)
4.30
ALogP
4
HBA
0
HBD
38.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 2.512 | nM | 8.6 | Antagonist activity at human recombinant histamine H1 receptor expressed in inta... | 21381763 |
| Alpha-1B adrenergic receptor | Ki | = | 158.49 | nM | 6.8 | Binding affinity to human adrenergic Alpha-1B receptor expressed in rat intact f... | 21381763 |
| Alpha-1A adrenergic receptor | Ki | = | 158.49 | nM | 6.8 | Binding affinity to human adrenergic alpha1A receptor expressed in rat intact fi... | 21381763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21381763 | 10.1021/jm1013874 | Alpha-1B adrenergic receptor | 1 |
| 21381763 | 10.1021/jm1013874 | Alpha-1A adrenergic receptor | 1 |
| 21381763 | 10.1021/jm1013874 | Histamine H3 receptor | 1 |
| 21381763 | 10.1021/jm1013874 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine