Compound Detail
CHEMBL300628
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 | CHEMBL300628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMFDJWPQFXVNQB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
203.3
MW (Da)
1.43
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.48
EC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL4744 | Ki | 8.48 | 7.65 | 3.3 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 3.3 | nM | 8.48 | Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, ... | 6139481 |
| Alpha-2A adrenergic receptor | Ki | = | 150.0 | nM | 6.82 | Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, ... | 6139481 |
| Adrenergic receptor alpha-1 | EC50 | = | 300.0 | nM | 6.52 | Agonist activity against alpha-1 adrenergic receptor from rat vas deferens | 6139481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6139481 | 10.1021/jm00366a022 | Alpha-2A adrenergic receptor | 2 |
| 6139481 | 10.1021/jm00366a022 | Adrenergic receptor alpha-2 | 2 |
| 6139481 | 10.1021/jm00366a022 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine