Compound Detail
CHEMBL99532
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 | CHEMBL99532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNEPTPUBKUXFLT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
1.82
ALogP
7
HBA
3
HBD
97.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | IC50 | = | 12400.0 | nM | 4.91 | Tested for Beta adrenergic receptor binding inhibition from canine ventricular t... | 1976812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1976812 | 10.1021/jm00172a033 | Canis familiaris | 2 |
| 1976812 | 10.1021/jm00172a033 | Adrenergic receptor beta | 1 |
Data from ChEMBL 36 via Core Engine