Compound Detail
CHEMBL342536
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Basic Information
| ChEMBL ID | CHEMBL342536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USKVYSVSXWHTPS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
5.12
ALogP
5
HBA
2
HBD
52.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.09 | 7.09 | 81.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.05 | 7.05 | 89.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.79 | 6.79 | 163.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.74 | 6.74 | 183.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 81.0 | nM | 7.09 | In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical mem... | 12408724 |
| D(4) dopamine receptor | Ki | = | 89.0 | nM | 7.05 | In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 ... | 12408724 |
| Adrenergic receptor alpha-1 | Ki | = | 163.0 | nM | 6.79 | In vitro binding affinity at Alpha-1 adrenergic receptor in rat cortical tissues | 12408724 |
| D(2) dopamine receptor | Ki | = | 183.0 | nM | 6.74 | In vitro binding affinity at human cloned Dopamine receptor D2L expressed in Sf9... | 12408724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408724 | 10.1021/jm0104825 | D(4) dopamine receptor | 1 |
| 12408724 | 10.1021/jm0104825 | D(2) dopamine receptor | 1 |
| 12408724 | 10.1021/jm0104825 | 5-hydroxytryptamine receptor 2A | 1 |
| 12408724 | 10.1021/jm0104825 | Adrenergic receptor alpha-1 | 1 |
| 12408724 | 10.1021/jm0104825 | Dopamine receptors; D2 & D4 | 1 |
| 12408724 | 10.1021/jm0104825 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine