Compound Detail
CHEMBL495211
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Basic Information
| ChEMBL ID | CHEMBL495211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDJGZTXRSQEYSL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL270330 |
| Active Moiety | CHEMBL270330 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.65
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.85 | 6.85 | 141.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 141.25 | nM | 6.85 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18459731 | 10.1021/jm800026x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine