Compound Detail
CHEMBL308129
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Basic Information
| ChEMBL ID | CHEMBL308129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAOQONBSWFLFPE-SECBINFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.2
MW (Da)
2.92
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 5.54 | 5.54 | 2920.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.54 | 5.54 | 2920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 2920.0 | nM | 5.54 | Antidopamine activity in vitro by ability to displace [3H]spiperone from rat bra... | 3941414 |
| D(2) dopamine receptor | IC50 | = | 2920.0 | nM | 5.54 | Inhibitory concentration required for displacing radioligand [3H]SPI from Dopami... | 1535660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3941414 | 10.1021/jm00151a010 | Rattus norvegicus | 2 |
| 3941414 | 10.1021/jm00151a010 | Dopamine receptor | 1 |
| 1535660 | 10.1021/jm00091a002 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine