Compound Detail
CHEMBL5272829
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Basic Information
| ChEMBL ID | CHEMBL5272829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBDWBLMTSCWWNJ-SJORKVTESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.5
MW (Da)
3.85
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at D4R (unknown origin) by camp reporter assay | 33422983 |
| D(4) dopamine receptor | Ki | = | 140.0 | nM | 6.85 | Displacement of [3H]-methylspiperone from D4 (unknown origin) receptor expressed... | 33422983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(4) dopamine receptor | 2 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(2) dopamine receptor | 1 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine