Compound Detail
CHEMBL65397
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Basic Information
| ChEMBL ID | CHEMBL65397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXQGSKLYCJFAKI-HNNXBMFYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
259.7
MW (Da)
3.28
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.96 | 6.96 | 109.0 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.85 | 6.85 | 141.2 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.43 | 5.43 | 3715.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.43 | 5.43 | 3750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 109.65 | nM | 6.96 | DSAC inhibitory potency obtained by the conversion of [32P]-ATP to [32P]-cAMP | 2527994 |
| Unchecked | Ki | = | 109.0 | nM | 6.96 | Inhibition of dopamine-stimulated adenylate cyclase obtained from rat corpus str... | 3050089 |
| D(1A) dopamine receptor | Ki | = | 141.25 | nM | 6.85 | Binding potency of compound for Dopamine receptor D1 by displacing [3H]SCH-23390... | 2527994 |
| D(1A) dopamine receptor | Ki | = | 140.0 | nM | 6.85 | Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM | 3050089 |
| D(2) dopamine receptor | Ki | = | 3715.35 | nM | 5.43 | Binding potency of compound for Dopamine receptor D2 by displacement of [3H]spip... | 2527994 |
| D(2) dopamine receptor | Ki | = | 3750.0 | nM | 5.43 | Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM | 3050089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2527994 | 10.1021/jm00129a006 | D(1A) dopamine receptor | 1 |
| 2527994 | 10.1021/jm00129a006 | D(2) dopamine receptor | 1 |
| 2527994 | 10.1021/jm00129a006 | Unchecked | 1 |
| 3050089 | 10.1021/jm00118a012 | D(1A) dopamine receptor | 1 |
| 3050089 | 10.1021/jm00118a012 | D(2) dopamine receptor | 1 |
| 3050089 | 10.1021/jm00118a012 | Unchecked | 1 |
| 3050089 | 10.1021/jm00118a012 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine