Compound Detail
CHEMBL257747
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Basic Information
| ChEMBL ID | CHEMBL257747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIIHCZLUQVXIQY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.16
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 2800.0 | nM | 5.55 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
| D(1A) dopamine receptor | IC50 | = | 17200.0 | nM | 4.76 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17228858 |
| Sodium-dependent dopamine transporter | IC50 | = | 40000.0 | nM | 4.4 | Displacement of [3H]DA from rat DAT | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine