Compound Detail
CHEMBL133615
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Basic Information
| ChEMBL ID | CHEMBL133615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFRAOVUFDVZUBA-SCSQUAGVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.2
MW (Da)
3.84
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of specific binding of [3H]rauwolscine to Alpha-2 adrenergic receptor... | 9767652 |
| Adrenergic receptor alpha-1 | IC50 | = | 225.0 | nM | 6.65 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortical me... | 9767652 |
| D(1A) dopamine receptor | IC50 | = | 1130.0 | nM | 5.95 | Displacement of [3H]-SCH- 23390 from Dopamine receptor D1 of rat striatal membra... | 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