Compound Detail
CHEMBL5195535
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Basic Information
| ChEMBL ID | CHEMBL5195535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGZASRPZTFYHQC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
468.3
MW (Da)
6.51
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL5742 | Ki | 6.37 | 6.37 | 427.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.07 | 6.07 | 846.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 5.52 | 5.52 | 3010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 427.0 | nM | 6.37 | Inhibition of human TPSO receptor expressed in human HEK293T cell membrane incub... | 36367749 |
| D(3) dopamine receptor | Ki | = | 846.0 | nM | 6.07 | Displacement of [3H]-N-methylspiperone from human D3 receptor expressed in human... | 36367749 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 2600.0 | nM | 5.58 | Displacement of [3H]-LSD from human 5HT2B expressed in human HEK293 cell membran... | 36367749 |
| Sigma intracellular receptor 2 | Ki | = | 3010.0 | nM | 5.52 | Displacement of [3H]-DTG from human sigma2 receptor expressed in human HEK293T c... | 36367749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36367749 | 10.1021/acs.jmedchem.2c01170 | Adenosine receptor A3 | 3 |
| 36367749 | 10.1021/acs.jmedchem.2c01170 | 5-hydroxytryptamine receptor 2B | 1 |
| 36367749 | 10.1021/acs.jmedchem.2c01170 | Sigma intracellular receptor 2 | 1 |
| 36367749 | 10.1021/acs.jmedchem.2c01170 | D(3) dopamine receptor | 1 |
| 36367749 | 10.1021/acs.jmedchem.2c01170 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine