Compound Detail
CHEMBL4778444
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Basic Information
| ChEMBL ID | CHEMBL4778444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVFABJKFAXYAJC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4802350 |
| Active Moiety | CHEMBL4802350 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
4.74
ALogP
4
HBA
6
HBD
122.1
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 6.45 | 6.45 | 355.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 355.0 | nM | 6.45 | Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain me... | 33139112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33139112 | 10.1016/j.ejmech.2020.112947 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine