Compound Detail
CHEMBL342029
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Basic Information
| ChEMBL ID | CHEMBL342029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWDJYHMGMOOTRK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
0.90
ALogP
5
HBA
4
HBD
60.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 46.0 | nM | 7.34 | Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells | - |
| Adrenergic receptor alpha-1 | Ki | = | 5100.0 | nM | 5.29 | Binding affinity towards Alpha-1 adrenergic receptor in human brain | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)80016-2 | Adrenergic receptor alpha-1 | 1 |
| - | 10.1016/0960-894X(94)80016-2 | Adrenergic receptor alpha-2 | 1 |
| - | 10.1016/0960-894X(94)80016-2 | Oryctolagus cuniculus | 1 |
| - | 10.1016/0960-894X(94)80016-2 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine