Compound Detail
CHEMBL4649012
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Basic Information
| ChEMBL ID | CHEMBL4649012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDMIXJWMVYRCRT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.3
MW (Da)
4.34
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.3 | 6.3 | 501.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 41.0 | nM | 7.39 | Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) | 32631525 |
| D(1B) dopamine receptor | Ki | = | 501.0 | nM | 6.3 | Displacement of [3H]SCH23390 from dopamine D5 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