Compound Detail
CHEMBL230644
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Basic Information
| ChEMBL ID | CHEMBL230644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCGHVGWHOPGTES-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
1.07
ALogP
4
HBA
2
HBD
45.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.52
Ki 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | EC50 | 4.52 | 4.52 | 30400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 16.98 | nM | 7.77 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
| Adrenergic receptor alpha-2 | EC50 | = | 30400.0 | nM | 4.52 | Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS bin... | 17691718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17691718 | 10.1021/jm070229q | Adrenergic receptor alpha-2 | 2 |
| 18459731 | 10.1021/jm800026x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine