Compound Detail
CHEMBL359031
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Basic Information
| ChEMBL ID | CHEMBL359031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWERGYLJSRWLJS-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.11
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.51 | 8.51 | 3.1 | 2 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.92 | 6.92 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 3.1 | nM | 8.51 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortic... | 1336054 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 3.1 | nM | 8.51 | Binding affinity at serotonin 5-hydroxytryptamine 2 receptor by [3H]ketanserin d... | 8151622 |
| Alpha-1A adrenergic receptor | IC50 | = | 6.3 | nM | 8.2 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in whole rat brain... | 1336054 |
| D(2) dopamine receptor | IC50 | = | 120.0 | nM | 6.92 | Displacement of [3H]spiperone from Dopamine receptor D2 rat striatal membranes | 1336054 |
| D(2) dopamine receptor | IC50 | = | 120.0 | nM | 6.92 | Binding affinity at dopamine D2 receptor by [3H]spiperone displacement. | 8151622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1336054 | 10.1021/jm00104a007 | Serotonin 2 (5-HT2) receptor | 1 |
| 1336054 | 10.1021/jm00104a007 | D(2) dopamine receptor | 1 |
| 1336054 | 10.1021/jm00104a007 | Alpha-1A adrenergic receptor | 1 |
| 8151622 | 10.1021/jm00033a013 | Serotonin 2 (5-HT2) receptor | 1 |
| 8151622 | 10.1021/jm00033a013 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine