Compound Detail
CHEMBL582992
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Basic Information
| ChEMBL ID | CHEMBL582992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXCYHZPVNXGIRJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.84
ALogP
5
HBA
1
HBD
52.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 9.31 | 9.31 | 0.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.01 | 5.01 | 9806.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.49 | nM | 9.31 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19831400 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 9806.0 | nM | 5.01 | Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex | 19831400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19831400 | 10.1021/jm901126m | Rattus norvegicus | 6 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 2A | 1 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 3A | 1 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 1A | 1 |
| 19831400 | 10.1021/jm901126m | Adrenergic receptor alpha-1 | 1 |
| 19831400 | 10.1021/jm901126m | Alpha-2A adrenergic receptor | 1 |
| 19831400 | 10.1021/jm901126m | D(1A) dopamine receptor | 1 |
| 19831400 | 10.1021/jm901126m | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine