Compound Detail
CHEMBL320915
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
CS(=O)(=O)Nc1cc([C@@H](O)CNC(c2ccc(OC(F)F)cc2)c2ccc(OC(F)F)cc2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL320915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUKHGCVTMAEHRG-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
544.5
MW (Da)
4.38
ALogP
7
HBA
4
HBD
117.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | Ki | = | 160.0 | nM | 6.8 | Binding affinity against CHO cells transfected with human beta-3 adrenergic rece... | 11714605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11714605 | 10.1016/s0960-894x(01)00628-x | Unchecked | 3 |
| 17533126 | 10.1016/j.bmcl.2007.05.030 | African green monkey | 3 |
| 11714605 | 10.1016/s0960-894x(01)00628-x | Beta-3 adrenergic receptor | 2 |
| 11714605 | 10.1016/s0960-894x(01)00628-x | Adrenergic receptor beta; ADRB1 & ADRB3 | 1 |
| 11714605 | 10.1016/s0960-894x(01)00628-x | Beta-2 adrenergic receptor and beta-3 adrenergic receptor | 1 |
| 11714605 | 10.1016/s0960-894x(01)00628-x | Cavia porcellus | 1 |
| 17533126 | 10.1016/j.bmcl.2007.05.030 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine