Compound Detail
CHEMBL109263
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Basic Information
| ChEMBL ID | CHEMBL109263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFSPQLXKVJSAMN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.01
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 5.28 | 5.28 | 5310.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.22 | 5.22 | 5980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 5310.0 | nM | 5.28 | Binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampus memb... | 8759642 |
| Adrenergic receptor alpha-1 | IC50 | = | 5980.0 | nM | 5.22 | Binding affinity against Alpha-1 adrenergic receptor in rat brain membrane using... | 8759642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8759642 | 10.1021/jm960087s | 5-hydroxytryptamine receptor 1A | 1 |
| 8759642 | 10.1021/jm960087s | Serotonin 2 (5-HT2) receptor | 1 |
| 8759642 | 10.1021/jm960087s | D(2) dopamine receptor | 1 |
| 8759642 | 10.1021/jm960087s | Adrenergic receptor alpha-1 | 1 |
| 8759642 | 10.1021/jm960087s | Adrenergic receptor alpha-2 | 1 |
| 8759642 | 10.1021/jm960087s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine