Compound Detail
CHEMBL135944
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Basic Information
| ChEMBL ID | CHEMBL135944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKVMMISWCZKJGO-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.67
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.58 | 6.58 | 266.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.47 | 6.47 | 335.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.47 | 5.47 | 3351.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 266.0 | nM | 6.58 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| D(4) dopamine receptor | Ki | = | 335.0 | nM | 6.47 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| D(2) dopamine receptor | Ki | = | 3351.0 | nM | 5.47 | 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