Compound Detail
CHEMBL553835
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Basic Information
| ChEMBL ID | CHEMBL553835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFEOYWNEOQONFY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195098 |
| Active Moiety | CHEMBL1195098 |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.30
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.48
IC50 1 meas.
Ki 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.07 | 5.07 | 8582.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | EC50 | 4.48 | 4.48 | 32992.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 8582.0 | nM | 5.07 | Tested for its binding affinity against alpha-2 receptor in rat brain membrane | 7914537 |
| Adrenergic receptor alpha-2 | EC50 | = | 32992.0 | nM | 4.48 | Tested for its inhibitory activity against alpha-2 adrenoceptor in guinea pig il... | 7914537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7914537 | 10.1021/jm00041a011 | Adrenergic receptor alpha-2 | 2 |
| 7914537 | 10.1021/jm00041a011 | Alpha-2A adrenergic receptor | 1 |
| 7914537 | 10.1021/jm00041a011 | Adrenergic receptor alpha-1 | 1 |
| 7914537 | 10.1021/jm00041a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine