Compound Detail
CHEMBL335971
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Basic Information
| ChEMBL ID | CHEMBL335971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMRODALMKPMZFW-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.55
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 5.86 | 5.86 | 1372.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.23 | 4.23 | 58882.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1372.0 | nM | 5.86 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| D(2) dopamine receptor | Ki | = | 58882.0 | nM | 4.23 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863800 | 10.1021/jm960345l | D(2) dopamine receptor | 2 |
| 8863800 | 10.1021/jm960345l | D(3) dopamine receptor | 1 |
| 8863800 | 10.1021/jm960345l | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine