Compound Detail
CHEMBL537841
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Basic Information
| ChEMBL ID | CHEMBL537841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONOWDNCFSNEQJJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL41064 |
| Active Moiety | CHEMBL41064 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
2.75
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.08 | 8.08 | 8.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 3.0 | nM | 8.52 | Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral c... | 2896247 |
| Adrenergic receptor alpha-1 | Ki | = | 8.4 | nM | 8.08 | Inhibition of saturable binding of [3H]prazosin to alpha1-site in rat cerebral c... | 2896247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2896247 | 10.1021/jm00400a009 | Rattus norvegicus | 4 |
| 2896247 | 10.1021/jm00400a009 | Adrenergic receptor alpha-1 | 3 |
| 2896247 | 10.1021/jm00400a009 | Adrenergic receptor alpha-2 | 3 |
Data from ChEMBL 36 via Core Engine