Compound Detail
CHEMBL265494
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Basic Information
| ChEMBL ID | CHEMBL265494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRSLARDFVUZKAD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.11
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.0 | 6.0 | 990.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 130.0 | nM | 6.89 | Binding affinity at Alpha-1 adrenergic receptor in rat cerebral cortex membranes... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 990.0 | nM | 6.0 | Binding affinity at 5-hydroxytryptamine 1A receptor in rat cerebral cortex membr... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1000.0 | nM | 6.0 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00081-9 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(96)00081-9 | Adrenergic receptor alpha-1 | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine