Compound Detail
CHEMBL5439212
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Basic Information
| ChEMBL ID | CHEMBL5439212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUEHIYRLOQCWLO-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
5.11
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]SCH-23390 from human dopamine D1 receptor assessed as inhibi... | 37421373 |
| D(3) dopamine receptor | Ki | = | 90.0 | nM | 7.05 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor assessed a... | 37421373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37421373 | 10.1021/acs.jmedchem.3c00976 | ADMET | 2 |
| 37421373 | 10.1021/acs.jmedchem.3c00976 | D(1A) dopamine receptor | 1 |
| 37421373 | 10.1021/acs.jmedchem.3c00976 | D(3) dopamine receptor | 1 |
| 37421373 | 10.1021/acs.jmedchem.3c00976 | Unchecked | 1 |
| 37421373 | 10.1021/acs.jmedchem.3c00976 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine