Compound Detail
CHEMBL133231
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 | CHEMBL133231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAXNLMLMEYQSSS-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
236.7
MW (Da)
1.91
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.8
EC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Canis familiaris CHEMBL373 | EC50 | 7.85 | 7.145 | 14.0 | 2 |
| Alpha-2B adrenergic receptor CHEMBL266 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 1.6 | nM | 8.8 | Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [... | 7562941 |
| Canis familiaris | EC50 | = | 14.0 | nM | 7.85 | Effective concentration for the agonist in the isolated blood vessel using in vi... | 7562941 |
| Alpha-2B adrenergic receptor | Ki | = | 20.0 | nM | 7.7 | Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using... | 7562941 |
| Canis familiaris | EC50 | = | 360.0 | nM | 6.44 | Effective concentration for the agonist in the isolated blood vessel using in vi... | 7562941 |
| Adrenergic receptor alpha-1 | Ki | = | 800.0 | nM | 6.1 | Displacement of [3H]prazosin from rat cortex Alpha-1 adrenergic receptor | 7562941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562941 | 10.1021/jm00020a021 | Canis familiaris | 4 |
| 7562941 | 10.1021/jm00020a021 | Adrenergic receptor alpha | 2 |
| 7562941 | 10.1021/jm00020a021 | Unchecked | 2 |
| 7562941 | 10.1021/jm00020a021 | Adrenergic receptor alpha-1 | 1 |
| 7562941 | 10.1021/jm00020a021 | Alpha-2A adrenergic receptor | 1 |
| 7562941 | 10.1021/jm00020a021 | Alpha-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine