Compound Detail
CHEMBL485728
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Basic Information
| ChEMBL ID | CHEMBL485728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCLCSOAFYUDOLP-IQGASKDCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
4.54
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.74 | 6.74 | 183.0 | 1 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL5525 | Ki | 5.77 | 5.77 | 1710.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.65 | 5.65 | 2250.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.62 | 5.62 | 2380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 183.0 | nM | 6.74 | Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane | 19053780 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 1710.0 | nM | 5.77 | Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane | 19053780 |
| Adrenergic receptor alpha-1 | Ki | = | 2250.0 | nM | 5.65 | Displacement of [3H]prazosin from adrenergic alpha1 receptor in rat cortical mem... | 19053780 |
| D(2) dopamine receptor | Ki | = | 2380.0 | nM | 5.62 | Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membr... | 19053780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053780 | 10.1021/jm800965b | 5-hydroxytryptamine receptor 1A | 1 |
| 19053780 | 10.1021/jm800965b | D(2) dopamine receptor | 1 |
| 19053780 | 10.1021/jm800965b | Adrenergic receptor alpha-1 | 1 |
| 19053780 | 10.1021/jm800965b | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 1 |
| 19053780 | 10.1021/jm800965b | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine