Compound Detail
CHEMBL339954
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Basic Information
| ChEMBL ID | CHEMBL339954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKBZGGCJLOKSKV-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
5.29
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Ki 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 41.0 | nM | 7.39 | Evaluated for its ability to displace tritiated receptor ligand in rat striatal ... | 1359142 |
| D(2) dopamine receptor | IC50 | = | 700.0 | nM | 6.16 | Evaluated for its ability to displace tritiated receptor ligand in rat striatal ... | 1359142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1359142 | 10.1021/jm00100a006 | D(2) dopamine receptor | 2 |
| 1359142 | 10.1021/jm00100a006 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine