Compound Detail
CHEMBL53810
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Basic Information
| ChEMBL ID | CHEMBL53810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHWIJJORNBOFAH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
677.2
MW (Da)
8.55
ALogP
8
HBA
4
HBD
72.8
PSA (Ų)
0.04
QED
2
Ro5 Violations
37
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 7300.0 | nM | 5.14 | Alpha-1-adrenoceptor blocking activity by antagonism of (-)-norepinephrine induc... | 2900899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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