Compound Detail
CHEMBL171921
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Basic Information
| ChEMBL ID | CHEMBL171921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGQKBQNMKHVABS-JTQLQIEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
3.22
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.15 | nM | 9.82 | Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2 | 1672158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1672158 | 10.1021/jm00107a012 | Rattus norvegicus | 4 |
| 1672158 | 10.1021/jm00107a012 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine