Compound Detail
CHEMBL4745647
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Basic Information
| ChEMBL ID | CHEMBL4745647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFLVIOYZWFGNNZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4802558 |
| Active Moiety | CHEMBL4802558 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
2.39
ALogP
5
HBA
5
HBD
97.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.51
Ki 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 7.17 | 7.17 | 67.6 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | EC50 | 4.51 | 4.51 | 30800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 67.6 | nM | 7.17 | Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain me... | 33139112 |
| Adrenergic receptor alpha-2 | EC50 | = | 30800.0 | nM | 4.51 | Antagonist activity at adrenergic alpha 2 receptor in human brain membrane asses... | 33139112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33139112 | 10.1016/j.ejmech.2020.112947 | Adrenergic receptor alpha-2 | 3 |
Data from ChEMBL 36 via Core Engine