Compound Detail
CHEMBL538520
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Basic Information
| ChEMBL ID | CHEMBL538520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAJYZZVCTFHTRT-LDXVYITESA-N |
| Parent Compound | CHEMBL1189332 |
| Active Moiety | CHEMBL1189332 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.2
MW (Da)
3.47
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1) dopamine receptor CHEMBL2368 | Ki | 6.71 | 6.71 | 197.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.44 | 6.44 | 366.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.71 | 5.71 | 1960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1) dopamine receptor | Ki | = | 197.0 | nM | 6.71 | In vitro inhibition of dopamine stimulated adenylate cyclase | 1833546 |
| D(1A) dopamine receptor | Ki | = | 366.0 | nM | 6.44 | Binding affinity for dopamine receptor D1 | 1833546 |
| D(2) dopamine receptor | Ki | = | 1960.0 | nM | 5.71 | Binding affinity for dopamine receptor D2 | 1833546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1833546 | 10.1021/jm00114a002 | D(1A) dopamine receptor | 1 |
| 1833546 | 10.1021/jm00114a002 | D(2) dopamine receptor | 1 |
| 1833546 | 10.1021/jm00114a002 | D(1) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine