Compound Detail
CHEMBL355655
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Basic Information
| ChEMBL ID | CHEMBL355655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPALXTYNFFFDEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
1.69
ALogP
3
HBA
2
HBD
57.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.41 | 7.41 | 38.9 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 38.9 | nM | 7.41 | Affinity for alpha-1 adrenoceptor of rat cerebral cortex was determined by ligan... | 6133954 |
| Adrenergic receptor alpha-2 | Ki | = | 630.96 | nM | 6.2 | Affinity for alpha-2 adrenergic receptor of rat cerebral cortex was determined b... | 6133954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6133954 | 10.1021/jm00360a013 | Rattus norvegicus | 12 |
| 6133954 | 10.1021/jm00360a013 | Adrenergic receptor alpha-1 | 1 |
| 6133954 | 10.1021/jm00360a013 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine