Compound Detail
CHEMBL155352
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Basic Information
| ChEMBL ID | CHEMBL155352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYADTQZDIVKTET-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
3.27
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.14 | 6.14 | 720.0 | 2 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.32 | 5.32 | 4786.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 724.44 | nM | 6.14 | Binding Affinity was determined against Dopamine receptor D2 in rat striatal mem... | 10691686 |
| D(2) dopamine receptor | Ki | = | 720.0 | nM | 6.14 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
| D(1A) dopamine receptor | Ki | = | 4786.3 | nM | 5.32 | Binding Affinity was determined against Dopamine receptor D1 in rat striatal mem... | 10691686 |
| D(1A) dopamine receptor | Ki | = | 4800.0 | nM | 5.32 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691686 | 10.1021/jm991034o | D(1A) dopamine receptor | 1 |
| 10691686 | 10.1021/jm991034o | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine