Compound Detail
CHEMBL29380
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Basic Information
| ChEMBL ID | CHEMBL29380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTDBEHJEPKRBOL-NOYHWAJDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
1.71
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.69 | 6.145 | 204.2 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | Kd | 6.32 | 6.32 | 478.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 204.17 | nM | 6.69 | Antagonistic activity against adrenergic alpha-2 receptor in longitudinal muscle... | 2886664 |
| Adrenergic receptor alpha-2 | Kd | = | 478.63 | nM | 6.32 | Antagonistic activity against longitudinal muscle strip of the guinea pig ileum ... | 2886664 |
| Adrenergic receptor alpha-2 | Kd | = | 2511.89 | nM | 5.6 | Antagonistic activity against presynaptic alpha-2 adrenergic receptor in isolate... | 2886664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha-2 | 3 |
Data from ChEMBL 36 via Core Engine