Compound Detail
CHEMBL79532
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL79532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGPKJFYMSVJDNW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
491.0
MW (Da)
3.47
ALogP
6
HBA
0
HBD
84.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.36 | 7.36 | 44.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 44.0 | nM | 7.36 | Binding affinity against human Alpha-1a adrenergic receptor was evaluated by clo... | 9873568 |
| Alpha-1D adrenergic receptor | Ki | = | 2000.0 | nM | 5.7 | Binding affinity against human Alpha-1d adrenergic receptor was evaluated by clo... | 9873568 |
| Alpha-1B adrenergic receptor | Ki | = | 2200.0 | nM | 5.66 | Binding affinity against human Alpha-1b adrenergic receptor was evaluated by clo... | 9873568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873568 | 10.1016/s0960-894x(98)00451-x | Alpha-1A adrenergic receptor | 1 |
| 9873568 | 10.1016/s0960-894x(98)00451-x | Alpha-1B adrenergic receptor | 1 |
| 9873568 | 10.1016/s0960-894x(98)00451-x | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine