Compound Detail
CHEMBL15146
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Basic Information
| ChEMBL ID | CHEMBL15146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDBWEQVKJDMEMK-CQSZACIVSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
247.4
MW (Da)
3.37
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.26 | 7.155 | 55.1 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.74 | 6.74 | 182.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 55.1 | nM | 7.26 | Binding affinity was evaluated by calculating competition for [3H]N-0437 binding... | 8863800 |
| D(3) dopamine receptor | Ki | = | 76.0 | nM | 7.12 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| D(2) dopamine receptor | Ki | = | 90.0 | nM | 7.05 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| D(4) dopamine receptor | Ki | = | 182.0 | nM | 6.74 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3599021 | 10.1021/jm00390a004 | Rattus norvegicus | 3 |
| 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