Compound Detail
CHEMBL83975
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Basic Information
| ChEMBL ID | CHEMBL83975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYQFNVDIVFBVPT-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.70
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 3.0 | nM | 8.52 | The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptam... | 1908521 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes inc... | 31253535 |
| Adrenergic receptor alpha-1 | IC50 | = | 52.0 | nM | 7.28 | The concentration required to inhibit [3H]prazosin binding to Alpha-1 adrenergic... | 1908521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1908521 | 10.1021/jm00112a025 | Serotonin 2 (5-HT2) receptor | 1 |
| 1908521 | 10.1021/jm00112a025 | Adrenergic receptor alpha-1 | 1 |
| 1908521 | 10.1021/jm00112a025 | D(2) dopamine receptor | 1 |
| 31253535 | 10.1016/j.bmc.2019.06.028 | D(2) dopamine receptor | 1 |
| 31253535 | 10.1016/j.bmc.2019.06.028 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine