Compound Detail
CHEMBL45423
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 | CHEMBL45423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEEAACXFQOFBJU-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
4.33
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.7
EC50 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 7.97 | 7.97 | 10.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.51 | 6.51 | 309.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.35 | 6.35 | 446.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.1995 | nM | 9.7 | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H... | 10229633 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 10.72 | nM | 7.97 | In vitro effective concentration required to inhibit forskolin-stimulated cAMP l... | 10229633 |
| D(2) dopamine receptor | Ki | = | 309.03 | nM | 6.51 | Binding affinity towards Dopamine receptor D2 in rat striatum using YM-09151-2 a... | 10229633 |
| Adrenergic receptor alpha-1 | Ki | = | 446.68 | nM | 6.35 | Binding affinity towards Alpha-1 adrenergic receptor using prazosin as a radioli... | 10229633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229633 | 10.1021/jm9806906 | Rattus norvegicus | 3 |
| 10229633 | 10.1021/jm9806906 | 5-hydroxytryptamine receptor 1A | 2 |
| 10229633 | 10.1021/jm9806906 | D(2) dopamine receptor | 1 |
| 10229633 | 10.1021/jm9806906 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine