Compound Detail
CHEMBL25483
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Basic Information
| ChEMBL ID | CHEMBL25483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHHLELSXRBTNRD-TZMCWYRMSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
2.68
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.39
Kd 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.39 | 8.39 | 4.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Kd | 7.8 | 7.8 | 15.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.8 | 7.8 | 16.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 4.1 | nM | 8.39 | Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO... | 8097537 |
| 5-hydroxytryptamine receptor 1A | Kd | = | 15.85 | nM | 7.8 | Binding affinity to 5HT1A receptor | 19754201 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 16.0 | nM | 7.8 | Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor s... | 8097537 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 16.0 | nM | 7.8 | Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocam... | 7731016 |
| D(2) dopamine receptor | Ki | = | 54.0 | nM | 7.27 | Binding affinity against [3H]raclopride-labeled dopamine receptor D2 in rat stri... | 8097537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8097537 | 10.1021/jm00060a014 | Mus musculus | 14 |
| 8097537 | 10.1021/jm00060a014 | D(2) dopamine receptor | 3 |
| 8097537 | 10.1021/jm00060a014 | Rattus norvegicus | 3 |
| 8097537 | 10.1021/jm00060a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 7731016 | 10.1021/jm00008a008 | 5-hydroxytryptamine receptor 1A | 1 |
| 19754201 | 10.1021/jm901096y | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine