Compound Detail
CHEMBL1243189
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
CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Basic Information
| ChEMBL ID | CHEMBL1243189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUAYCOBWTWJBCO-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
525.7
MW (Da)
3.27
ALogP
6
HBA
5
HBD
127.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 10.64 | 10.64 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.023 | nM | 10.64 | Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO... | 20804199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20804199 | 10.1021/jm1005989 | Unchecked | 1 |
| 20804199 | 10.1021/jm1005989 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine