Compound Detail
CHEMBL250579
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)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL250579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGHYFJPSEDCVLZ-YTTGMZPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
670.8
MW (Da)
6.00
ALogP
7
HBA
4
HBD
135.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 6.57 | 6.57 | 268.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 268.1 | nM | 6.57 | Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells asse... | 17911024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17911024 | 10.1016/j.bmcl.2007.09.011 | Beta-3 adrenergic receptor | 2 |
| 17911024 | 10.1016/j.bmcl.2007.09.011 | Beta-2 adrenergic receptor | 2 |
| 17911024 | 10.1016/j.bmcl.2007.09.011 | Beta-1 adrenergic receptor | 2 |
| 17911024 | 10.1016/j.bmcl.2007.09.011 | Atrium | 1 |
Data from ChEMBL 36 via Core Engine