Compound Detail
CHEMBL4087103
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
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL4087103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYGJAYYSLQGFTI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.3
MW (Da)
5.26
ALogP
5
HBA
2
HBD
118.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Wnt/beta-catenin signaling (unknown origin) expressed in HEK293 ce... | 28233680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28233680 | 10.1016/j.bmc.2017.01.046 | Unchecked | 2 |
| 28233680 | 10.1016/j.bmc.2017.01.046 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine