Compound Detail
CHEMBL39334
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 | CHEMBL39334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCBKVLZYARZHND-KUHUBIRLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
397.8
MW (Da)
3.83
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 4.7 | 4.7 | 19900.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 4.13 | 4.13 | 73700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | Ki | = | 19900.0 | nM | 4.7 | Ability to bind to human Beta-3 adrenergic receptor using membranes of stably tr... | - |
| Beta-2 adrenergic receptor | Ki | = | 73700.0 | nM | 4.13 | Ability to bind to human Beta-2 adrenergic receptor using membranes of stably tr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00266-7 | Beta-3 adrenergic receptor | 3 |
| - | 10.1016/S0960-894X(97)00266-7 | Beta-1 adrenergic receptor | 1 |
| - | 10.1016/S0960-894X(97)00266-7 | Beta-2 adrenergic receptor | 1 |
| - | 10.1016/S0960-894X(97)00266-7 | Adrenergic receptor beta; ADRB1 & ADRB3 | 1 |
| - | 10.1016/S0960-894X(97)00266-7 | Beta-2 adrenergic receptor and beta-3 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine