Compound Detail
CHEMBL3739935
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Basic Information
| ChEMBL ID | CHEMBL3739935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYXCPKRPTCZKET-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
4.56
ALogP
5
HBA
0
HBD
66.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 5.89 | 5.89 | 1287.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.82 | 5.82 | 1523.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 1287.1 | nM | 5.89 | Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1523.5 | nM | 5.82 | Displacement of [3H]ketanserin from 5HT2A receptor in rat brain cortex | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00578C | D(2) dopamine receptor | 1 |
| - | 10.1039/C4MD00578C | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1039/C4MD00578C | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine