Compound Detail
CHEMBL133432
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Basic Information
| ChEMBL ID | CHEMBL133432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGPVZNWBBGCYKA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
2.16
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 7.17 | 5.67 | 67.5 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.66 | 5.66 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 67.5 | nM | 7.17 | Displacement of [3H]rauwolscine from Alpha-2 adrenergic receptor of rat cortical... | 9767652 |
| Adrenergic receptor alpha-1 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of binding of [3H]prazosin to Alpha-1 adrenergic receptor in rat cort... | 11294383 |
| Adrenergic receptor alpha-1 | IC50 | = | 2200.0 | nM | 5.66 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortical me... | 9767652 |
| Adrenergic receptor alpha-2 | IC50 | = | 67500.0 | nM | 4.17 | Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat c... | 11294383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11294383 | 10.1016/s0960-894x(01)00076-2 | D(2) dopamine receptor | 1 |
| 11294383 | 10.1016/s0960-894x(01)00076-2 | D(1A) dopamine receptor | 1 |
| 11294383 | 10.1016/s0960-894x(01)00076-2 | Adrenergic receptor alpha-1 | 1 |
| 11294383 | 10.1016/s0960-894x(01)00076-2 | Adrenergic receptor alpha-2 | 1 |
| 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