Compound Detail
CHEMBL5172469
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Basic Information
| ChEMBL ID | CHEMBL5172469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLMFUBCMJSPRPY-YJJYDOSJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
3.68
ALogP
3
HBA
0
HBD
28.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 3.9 | nM | 8.41 | Displacement of [3H]-spiperone from rat frontal cortex membrane homogenate D2 re... | 35939391 |
| Alpha-1A adrenergic receptor | Ki | = | 34.0 | nM | 7.47 | Displacement of [3H]-prazosin from rat whole cortex membrane homogenate alpha 1 ... | 35939391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35939391 | 10.1021/acs.jmedchem.2c00633 | D(2) dopamine receptor | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine