Compound Detail
CHEMBL29379
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Basic Information
| ChEMBL ID | CHEMBL29379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEZSUAXJWCMWEK-HUORLRHWSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
2.50
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 7.63 | 7.625 | 23.4 | 2 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Kd | 4.98 | 4.98 | 10471.3 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 4.85 | 4.85 | 14125.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 23.44 | nM | 7.63 | Antagonistic activity against presynaptic alpha-2 adrenergic receptor in isolate... | 2886664 |
| Adrenergic receptor alpha-2 | Kd | = | 23.99 | nM | 7.62 | Antagonistic activity against adrenergic alpha-2 receptor in longitudinal muscle... | 2886664 |
| Adrenergic receptor alpha-1 | Kd | = | 10471.29 | nM | 4.98 | Antagonistic activity against postsynaptic alpha-1 adrenergic receptor in rabbit... | 2886664 |
| Adrenergic receptor alpha-1 | Kd | = | 14125.38 | nM | 4.85 | Antagonistic activity against postsynaptic Alpha-1 adrenergic receptor in isolat... | 2886664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha-2 | 3 |
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha-1 | 3 |
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine