Compound Detail
CHEMBL556758
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Basic Information
| ChEMBL ID | CHEMBL556758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTWUMADNWAHYEQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1196365 |
| Active Moiety | CHEMBL1196365 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.7
MW (Da)
1.70
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.88 | 7.88 | 13.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 0.16 | nM | 9.8 | Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral c... | 2896247 |
| Adrenergic receptor alpha-1 | Ki | = | 13.1 | nM | 7.88 | Inhibition of saturable binding of [3H]prazosin to alpha-1 adrenergic receptor s... | 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