Compound Detail
CHEMBL538801
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Basic Information
| ChEMBL ID | CHEMBL538801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEPDNECGECJPNR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189476 |
| Active Moiety | CHEMBL1189476 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
3.71
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 0.12 | nM | 9.92 | Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic recept... | 1347319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1347319 | 10.1021/jm00082a017 | Adrenergic receptor alpha-1 | 1 |
| 1347319 | 10.1021/jm00082a017 | Adrenergic receptor alpha-2 | 1 |
| 1347319 | 10.1021/jm00082a017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine