Compound Detail
CHEMBL4749860
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Basic Information
| ChEMBL ID | CHEMBL4749860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQDYNQIMTRERLH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
0.66
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL327 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 1500.0 | nM | 5.82 | Displacement of [3H]-clonidine from Sprague-Dawley rat alpha2 adrenergic recepto... | 33147410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33147410 | 10.1021/acs.jmedchem.0c01475 | Phenylethanolamine N-methyltransferase | 3 |
| 33147410 | 10.1021/acs.jmedchem.0c01475 | Alpha-2A adrenergic receptor | 1 |
| 33147410 | 10.1021/acs.jmedchem.0c01475 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine