Compound Detail
CHEMBL52429
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Basic Information
| ChEMBL ID | CHEMBL52429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIAUHHNPLPFGKQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
2.29
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 5.19 | 5.19 | 6456.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 6456.54 | nM | 5.19 | Antagonist potency towards alpha-2 adrenergic receptor in the rat electrically s... | 2875186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2875186 | 10.1021/jm00159a037 | Alpha-2 adrenergic receptor | 4 |
| 2875186 | 10.1021/jm00159a037 | Adrenergic receptor alpha-2 | 1 |
| 2875186 | 10.1021/jm00159a037 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine