Compound Detail
CHEMBL452437
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 | CHEMBL452437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZFPTSHPKIDPDG-YLJYHZDGSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
2.82
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.38 | 8.38 | 4.2 | 2 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.36 | 7.36 | 43.6 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.57 | 6.57 | 269.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 4.169 | nM | 8.38 | Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in huma... | 18817363 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 4.169 | nM | 8.38 | Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in... | 27662034 |
| Alpha-1D adrenergic receptor | Ki | = | 43.65 | nM | 7.36 | Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in... | 18817363 |
| Alpha-1A adrenergic receptor | Ki | = | 199.53 | nM | 6.7 | Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in... | 18817363 |
| Alpha-1B adrenergic receptor | Ki | = | 269.15 | nM | 6.57 | Displacement of [3H]prazosin from human cloned Alpha-1B adrenoceptor expressed i... | 18817363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18817363 | 10.1021/jm800461k | 5-hydroxytryptamine receptor 1A | 3 |
| 18817363 | 10.1021/jm800461k | PC-3 | 3 |
| 27662034 | 10.1016/j.ejmech.2016.09.026 | 5-hydroxytryptamine receptor 1A | 3 |
| 18817363 | 10.1021/jm800461k | Alpha-1A adrenergic receptor | 2 |
| 18817363 | 10.1021/jm800461k | Alpha-1B adrenergic receptor | 2 |
| 18817363 | 10.1021/jm800461k | Alpha-1D adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine