Compound Detail
CHEMBL301293
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Basic Information
| ChEMBL ID | CHEMBL301293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWSIAXJVRHYOTK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
562.9
MW (Da)
5.48
ALogP
8
HBA
4
HBD
66.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.34 | 4.2 | 46000.0 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.25 | 4.25 | 55800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 25800.0 | nM | 4.59 | Alpha-2 adrenergic receptor blocking activity by antagonism of clonidine induced... | 2900899 |
| Unchecked | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of epinephrine induced human blood platelet aggregation | 2900899 |
| Rattus norvegicus | IC50 | = | 55800.0 | nM | 4.25 | Alpha-1-adrenoceptor blocking activity by antagonism of (-)-norepinephrine induc... | 2900899 |
| Unchecked | IC50 | = | 87000.0 | nM | 4.06 | Inhibition of ADP induced human blood platelet aggregation | 2900899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2900899 | 10.1021/jm00117a030 | Unchecked | 2 |
| 31477 | 10.1021/jm00209a007 | Adrenergic receptor alpha | 2 |
| 2900899 | 10.1021/jm00117a030 | Rattus norvegicus | 1 |
| 2900899 | 10.1021/jm00117a030 | Adrenergic receptor alpha-2 | 1 |
| 2900899 | 10.1021/jm00117a030 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine