Compound Detail
CHEMBL27021
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 | CHEMBL27021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMBPIKSQPHQYTQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.06
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.78 | 7.78 | 16.6 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.04 | 7.04 | 91.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.82 | nM | 8.74 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| Alpha-1D adrenergic receptor | Ki | = | 16.6 | nM | 7.78 | Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO ce... | 27448917 |
| Alpha-1A adrenergic receptor | Ki | = | 31.62 | nM | 7.5 | Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO ce... | 27448917 |
| Alpha-1B adrenergic receptor | Ki | = | 91.2 | nM | 7.04 | Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO ce... | 27448917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27448917 | 10.1016/j.ejmech.2016.06.052 | Alpha-1B adrenergic receptor | 2 |
| 27448917 | 10.1016/j.ejmech.2016.06.052 | Alpha-1A adrenergic receptor | 2 |
| 27448917 | 10.1016/j.ejmech.2016.06.052 | Alpha-1D adrenergic receptor | 2 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine