Compound Detail
CHEMBL131841
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Basic Information
| ChEMBL ID | CHEMBL131841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDNNWNKVOIAXTP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.89
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 12.0 | nM | 7.92 | Evaluated for its ability to displace tritiated receptor ligand in rat striatal ... | 1359142 |
| D(2) dopamine receptor | IC50 | = | 50.0 | nM | 7.3 | 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