Compound Detail
CHEMBL49851
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 | CHEMBL49851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RORFUFVFDXKMOM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
472.4
MW (Da)
3.12
ALogP
8
HBA
1
HBD
70.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.23 | 8.23 | 5.9 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.92 | 7.92 | 11.9 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.87 | 7.87 | 13.6 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.26 | 7.26 | 54.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.25 | 7.25 | 56.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 5.93 | nM | 8.23 | The compound was tested for binding affinity on [3H]- prazosin as specific ligan... | 9888842 |
| Alpha-1D adrenergic receptor | Ki | = | 11.9 | nM | 7.92 | The compound was tested for binding affinity on [3H]- prazosin as specific ligan... | 9888842 |
| Alpha-1B adrenergic receptor | Ki | = | 13.6 | nM | 7.87 | The compound was tested for binding affinity on [3H]- prazosin as specific ligan... | 9888842 |
| Adrenergic receptor alpha-1 | Ki | = | 54.6 | nM | 7.26 | The compound was tested for binding affinity on [3H]- prazosin as specific ligan... | 9888842 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 56.5 | nM | 7.25 | The compound was tested for binding affinity on [3H]8-OH-DPAT as specific ligand... | 9888842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9888842 | 10.1021/jm981006q | Adrenergic receptor alpha-1 | 1 |
| 9888842 | 10.1021/jm981006q | 5-hydroxytryptamine receptor 1A | 1 |
| 9888842 | 10.1021/jm981006q | Alpha-1A adrenergic receptor | 1 |
| 9888842 | 10.1021/jm981006q | Alpha-1B adrenergic receptor | 1 |
| 9888842 | 10.1021/jm981006q | Alpha-1D adrenergic receptor | 1 |
| 9888842 | 10.1021/jm981006q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine