Compound Detail
CHEMBL58006
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 | CHEMBL58006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOCZOARDHLPYDZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
1.68
ALogP
5
HBA
0
HBD
70.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 15.0 | nM | 7.82 | In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebra... | 11170629 |
| Adrenergic receptor alpha-1 | Ki | = | 30.0 | nM | 7.52 | In vitro binding affinity towards alpha-1 adrenergic receptor in rat cerebral co... | 11170629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14611840 | 10.1016/s0960-894x(03)00598-5 | 5-hydroxytryptamine receptor 1A | 2 |
| 14611840 | 10.1016/s0960-894x(03)00598-5 | Adrenergic receptor alpha-1 | 2 |
| 11170629 | 10.1021/jm000930t | 5-hydroxytryptamine receptor 1A | 1 |
| 11170629 | 10.1021/jm000930t | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine