Compound Detail
CHEMBL132304
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Basic Information
| ChEMBL ID | CHEMBL132304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLADFNAJLNALFZ-XVNBXDOJSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.2
MW (Da)
3.52
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 0.5 | nM | 9.3 | Displacement of [3H]rauwolscine from Alpha-2 adrenergic receptor of rat cortical... | 9767652 |
| Adrenergic receptor alpha-1 | IC50 | = | 54.0 | nM | 7.27 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortical me... | 9767652 |
| D(1A) dopamine receptor | IC50 | = | 120.0 | nM | 6.92 | Displacement of [3H]-SCH- 23390 from Dopamine receptor D1 of rat striatal membra... | 9767652 |
| D(2) dopamine receptor | IC50 | = | 490.0 | nM | 6.31 | Inhibition of specific binding of [3H]spiroperidol to Dopamine receptor D2 in ra... | 9767652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767652 | 10.1021/jm980284m | D(2) dopamine receptor | 1 |
| 9767652 | 10.1021/jm980284m | D(1A) dopamine receptor | 1 |
| 9767652 | 10.1021/jm980284m | Adrenergic receptor alpha-1 | 1 |
| 9767652 | 10.1021/jm980284m | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine