Compound Detail
CHEMBL53335
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Basic Information
| ChEMBL ID | CHEMBL53335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGNUGQIIDYTDSW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
0.63
ALogP
4
HBA
3
HBD
75.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 13000.0 | nM | 4.89 | Binding affinity towards alpha 2 adrenergic receptor | 2879916 |
| Adrenergic receptor alpha-1 | Ki | = | 99000.0 | nM | 4.0 | Binding affinity towards alpha 1 adrenergic receptor | 2879916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2879916 | 10.1021/jm00384a030 | Adrenergic receptor alpha-1 | 1 |
| 2879916 | 10.1021/jm00384a030 | Adrenergic receptor alpha-2 | 1 |
| 2879916 | 10.1021/jm00384a030 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine