Compound Detail
CHEMBL171688
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Basic Information
| ChEMBL ID | CHEMBL171688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPGGIRXKQRFUGC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
2.49
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 5.88 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Dopamine receptor binding affinity by displacing the radioligand [3H]-dopamine f... | 3712381 |
| Unchecked | IC50 | = | 3500.0 | nM | 5.46 | Dopamine receptor binding affinity by displacing the radioligand [3H]spiroperido... | 3712381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3712381 | 10.1021/jm00156a007 | Unchecked | 2 |
| 3712381 | 10.1021/jm00156a007 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine