Compound Detail
CHEMBL26853
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL26853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDQWSMFPLDSLBV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
2.50
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.7 | 7.7 | 19.9 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 20.0 | nM | 7.7 | Binding affinity at 5-hydroxytryptamine 1A receptor in rat cerebral cortex membr... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 19.95 | nM | 7.7 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| Adrenergic receptor alpha-1 | Ki | = | 33.0 | nM | 7.48 | Binding affinity at Alpha-1 adrenergic receptor in rat cerebral cortex membranes... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00081-9 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(96)00081-9 | Adrenergic receptor alpha-1 | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine