Compound Detail
CHEMBL24588
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Basic Information
| ChEMBL ID | CHEMBL24588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHOJVFLWKSRVPH-TZMCWYRMSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
2.91
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.03 | 7.03 | 93.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.47 | 6.47 | 338.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 33.0 | nM | 7.48 | Binding affinity against [3H]raclopride-labeled dopamine receptor D2 in rat stri... | 8097537 |
| D(2) dopamine receptor | Ki | = | 93.0 | nM | 7.03 | Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO... | 8097537 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 338.0 | nM | 6.47 | Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor s... | 8097537 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 338.0 | nM | 6.47 | Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocam... | 7731016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8097537 | 10.1021/jm00060a014 | Mus musculus | 12 |
| 8097537 | 10.1021/jm00060a014 | D(2) dopamine receptor | 3 |
| 8097537 | 10.1021/jm00060a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 8097537 | 10.1021/jm00060a014 | Rattus norvegicus | 1 |
| 7731016 | 10.1021/jm00008a008 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine