Compound Detail
CHEMBL338683
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Basic Information
| ChEMBL ID | CHEMBL338683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVXCQBZATLABHQ-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
2.85
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.52
EC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL266 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.16 | 6.16 | 700.0 | 1 |
| Canis familiaris CHEMBL373 | EC50 | 5.7 | 5.19 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 3.0 | nM | 8.52 | Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [... | 7562941 |
| Alpha-2B adrenergic receptor | Ki | = | 95.0 | nM | 7.02 | Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using... | 7562941 |
| Adrenergic receptor alpha-1 | Ki | = | 700.0 | nM | 6.16 | Displacement of [3H]prazosin from rat cortex Alpha-1 adrenergic receptor | 7562941 |
| Canis familiaris | EC50 | = | 2000.0 | nM | 5.7 | Effective concentration for the agonist in the isolated blood vessel using in vi... | 7562941 |
| Canis familiaris | EC50 | = | 21000.0 | nM | 4.68 | Effective concentration for the agonist in the isolated blood vessel using in vi... | 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