Compound Detail
CHEMBL4645139
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Basic Information
| ChEMBL ID | CHEMBL4645139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVFYXNDKOPANPI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
4.88
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.32 | 6.32 | 479.1 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.98 | 5.98 | 1044.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.82 | 5.82 | 1507.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1B) dopamine receptor | Ki | = | 479.1 | nM | 6.32 | Displacement of [3H]SCH23390 from dopamine D5 receptor (unknown origin) | 32631525 |
| D(1A) dopamine receptor | Ki | = | 1044.0 | nM | 5.98 | Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) | 32631525 |
| D(2) dopamine receptor | Ki | = | 1507.8 | nM | 5.82 | Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) | 32631525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631525 | 10.1016/j.bmcl.2020.127305 | D(1A) dopamine receptor | 1 |
| 32631525 | 10.1016/j.bmcl.2020.127305 | D(1B) dopamine receptor | 1 |
| 32631525 | 10.1016/j.bmcl.2020.127305 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine