Compound Detail
CHEMBL468498
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Basic Information
| ChEMBL ID | CHEMBL468498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCRXUFYSLPXCDW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.44
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 7.95 | 7.95 | 11.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.04 | 6.04 | 919.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 5.24 | 5.24 | 5750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 11.2 | nM | 7.95 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19425598 |
| D(2) dopamine receptor | Ki | = | 919.0 | nM | 6.04 | Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum | 19425598 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 5750.0 | nM | 5.24 | Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum | 19425598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 3A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 1A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 2A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 4 | 1 |
| 19425598 | 10.1021/jm900018b | D(1A) dopamine receptor | 1 |
| 19425598 | 10.1021/jm900018b | D(2) dopamine receptor | 1 |
| 19425598 | 10.1021/jm900018b | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine