Compound Detail
CHEMBL61817
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 | CHEMBL61817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APJZGORQENFTMG-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
1.56
ALogP
7
HBA
4
HBD
122.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 10.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 300.0 | nM | 6.52 | Binding affinity towards human Beta-3 adrenergic receptor | 9925722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9925722 | 10.1021/jm980521l | Beta-3 adrenergic receptor | 1 |
| 9925722 | 10.1021/jm980521l | ADMET | 1 |
| 9925722 | 10.1021/jm980521l | Adrenergic receptor beta; ADRB1 & ADRB3 | 1 |
| 9925722 | 10.1021/jm980521l | Beta-2 adrenergic receptor and beta-3 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine