Compound Detail
CHEMBL439822
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 | CHEMBL439822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNALJYKFTZMOJJ-PDGQHHTCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
1.86
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 7.06 | 7.06 | 87.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 87.1 | nM | 7.06 | In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts vi... | 11844675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844675 | 10.1016/s0960-894x(01)00822-8 | Alpha-1A adrenergic receptor | 2 |
| 11844675 | 10.1016/s0960-894x(01)00822-8 | Alpha-1B adrenergic receptor | 1 |
| 11844675 | 10.1016/s0960-894x(01)00822-8 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine