Compound Detail
CHEMBL5410716
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Basic Information
| ChEMBL ID | CHEMBL5410716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJARUWIFRQEXIR-FQEVSTJZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.72
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.83 | 5.83 | 1491.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor assessed a... | 37421373 |
| D(1A) dopamine receptor | Ki | = | 42.0 | nM | 7.38 | Displacement of [3H]SCH-23390 from human dopamine D1 receptor assessed as inhibi... | 37421373 |
| D(2) dopamine receptor | Ki | = | 1491.0 | nM | 5.83 | Displacement of [3H]N-methylspiperone from human dopamine D2 receptor assessed a... | 37421373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37421373 | 10.1021/acs.jmedchem.3c00976 | Unchecked | 3 |
| 37421373 | 10.1021/acs.jmedchem.3c00976 | D(1A) dopamine receptor | 1 |
| 37421373 | 10.1021/acs.jmedchem.3c00976 | D(2) dopamine receptor | 1 |
| 37421373 | 10.1021/acs.jmedchem.3c00976 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine