Compound Detail
CHEMBL1203601
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Basic Information
| ChEMBL ID | CHEMBL1203601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQNGAVFGMLQQDC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL158905 |
| Active Moiety | CHEMBL158905 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
3.16
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 31.62 | nM | 7.5 | Binding affinity against alpha-2 adrenergic receptor in rat cerebral cortical me... | 2153822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 630.96 | nM | 6.2 | Binding affinity against 5-hydroxytryptamine 1A receptor in rat cerebral cortica... | 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