Compound Detail
CHEMBL25013
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Basic Information
| ChEMBL ID | CHEMBL25013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNMWUMGOSWLWOH-HDUJFRAXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names
Molecular Properties
339.5
MW (Da)
3.35
ALogP
2
HBA
2
HBD
48.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.13 | 9.13 | 0.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.73 | 7.73 | 18.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.74 | nM | 9.13 | Compound was tested for antagonistic activity against D2 receptor from rat stria... | 8496900 |
| D(2) dopamine receptor | Ki | = | 3.1 | nM | 8.51 | Compound was tested for agonistic activity against D2 receptor from cloned CHO c... | 8496900 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 18.7 | nM | 7.73 | Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus... | 8496900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496900 | 10.1021/jm00062a001 | D(2) dopamine receptor | 3 |
| 8496900 | 10.1021/jm00062a001 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine