Compound Detail
CHEMBL535858
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Basic Information
| ChEMBL ID | CHEMBL535858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQGVYRZRQVECRU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL271996 |
| Active Moiety | CHEMBL271996 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
1.76
ALogP
8
HBA
4
HBD
79.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 6.33 | 6.33 | 467.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 467.74 | nM | 6.33 | Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain fron... | 17691718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17691718 | 10.1021/jm070229q | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine