Compound Detail
CHEMBL144362
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Basic Information
| ChEMBL ID | CHEMBL144362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHXVZNYMJMMPEI-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
5.33
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.28
Ki 3 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.28 | 8.28 | 5.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 5.3 | nM | 8.28 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortic... | 1336054 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 5.3 | nM | 8.28 | Displacement of [3H]-Ketanserin from rat cortical membrane 5-HT2A receptor | 35939391 |
| D(2) dopamine receptor | IC50 | = | 2600.0 | nM | 5.58 | Displacement of [3H]spiperone from Dopamine receptor D2 rat striatal membranes | 1336054 |
| D(2) dopamine receptor | Ki | = | 2600.0 | nM | 5.58 | Displacement of [3H]-spiperone from rat striatal membrane D2 receptor | 35939391 |
| Alpha-1A adrenergic receptor | IC50 | = | 2700.0 | nM | 5.57 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in whole rat brain... | 1336054 |
| Alpha-1A adrenergic receptor | Ki | = | 2700.0 | nM | 5.57 | Displacement of [3H]prazosin from rat whole brain alpha1 adrenergic receptor | 35939391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1336054 | 10.1021/jm00104a007 | Rattus norvegicus | 4 |
| 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 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | D(2) dopamine receptor | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | 5-hydroxytryptamine receptor 2A | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine