Compound Detail
CHEMBL286120
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Basic Information
| ChEMBL ID | CHEMBL286120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBUVZVXIRYFENV-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.27
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 2800.0 | nM | 5.55 | Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude memb... | 1533424 |
| D(2) dopamine receptor | IC50 | = | 5000.0 | nM | 5.3 | Displacement of [3H]YM-09151-2 (60 pm) from dopamine receptor D2 in crude membra... | 1533424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 1533424 | 10.1021/jm00086a016 | D(1A) dopamine receptor | 1 |
| 1533424 | 10.1021/jm00086a016 | D(2) dopamine receptor | 1 |
| 1533424 | 10.1021/jm00086a016 | Dopamine receptors; D1 & D2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine