Compound Detail
CHEMBL330924
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
COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(OCC(=O)O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL330924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCBVIUUCNAGJPI-IGKIAQTJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
573.6
MW (Da)
2.41
ALogP
9
HBA
6
HBD
183.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | Ki | = | 370.0 | nM | 6.43 | Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells | 15177466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177466 | 10.1016/j.bmcl.2004.04.074 | Beta-3 adrenergic receptor | 1 |
| 15177466 | 10.1016/j.bmcl.2004.04.074 | Adrenergic receptor beta; ADRB1 & ADRB3 | 1 |
| 15177466 | 10.1016/j.bmcl.2004.04.074 | Beta-2 adrenergic receptor and beta-3 adrenergic receptor | 1 |
| 15177466 | 10.1016/j.bmcl.2004.04.074 | Beta-1 adrenergic receptor | 1 |
| 15177466 | 10.1016/j.bmcl.2004.04.074 | Cavia porcellus | 1 |
| 15177466 | 10.1016/j.bmcl.2004.04.074 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine