Compound Detail
CHEMBL75842
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Basic Information
| ChEMBL ID | CHEMBL75842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZYKUFQJFLQMPU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
3.86
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Ki 1 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.51 | 9.51 | 0.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.31 | nM | 9.51 | Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue | 8246241 |
| D(2) dopamine receptor | IC50 | = | 5.0 | nM | 8.3 | The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]... | 1973734 |
| D(2) dopamine receptor | IC50 | = | 5.0 | nM | 8.3 | Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was det... | 1672158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1973734 | 10.1021/jm00170a040 | Rattus norvegicus | 2 |
| 8246241 | 10.1021/jm00075a028 | D(2) dopamine receptor | 1 |
| 1973734 | 10.1021/jm00170a040 | D(2) dopamine receptor | 1 |
| 1672158 | 10.1021/jm00107a012 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine