Compound Detail
CHEMBL1203595
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Basic Information
| ChEMBL ID | CHEMBL1203595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZVOYFFQRUFUCX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL347661 |
| Active Moiety | CHEMBL347661 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
4.45
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 39.81 | nM | 7.4 | Binding affinity against 5-hydroxytryptamine 1A receptor in rat cerebral cortica... | 2153822 |
| Adrenergic receptor alpha-2 | Ki | = | 1258.93 | nM | 5.9 | Binding affinity against alpha-2 adrenergic receptor in rat cerebral cortical me... | 2153822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153822 | 10.1021/jm00164a026 | Adrenergic receptor alpha-2 | 1 |
| 2153822 | 10.1021/jm00164a026 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine