Compound Detail
CHEMBL134504
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Basic Information
| ChEMBL ID | CHEMBL134504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATEDSMZPEGWBHY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
4.37
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 40.0 | nM | 7.4 | Binding affinity was tested on Alpha-1 adrenergic receptor using radioligand [3H... | 8863803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863803 | 10.1021/jm9508898 | Adrenergic receptor alpha-1 | 1 |
| 8863803 | 10.1021/jm9508898 | 5-hydroxytryptamine receptor 1A | 1 |
| 8863803 | 10.1021/jm9508898 | Glutamate NMDA receptor | 1 |
| 8863803 | 10.1021/jm9508898 | D(2) dopamine receptor | 1 |
| 8863803 | 10.1021/jm9508898 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine