Compound Detail
CHEMBL3601481
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CC(C)(C)C1CCN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4CCC(C(C)(C)C)CC4)ccc2C3=NO)CC1
Basic Information
| ChEMBL ID | CHEMBL3601481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWDSEXPHELYXJT-YIVISXGPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
644.9
MW (Da)
5.35
ALogP
8
HBA
2
HBD
139.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of Wnt/beta-catenin transcriptional activity in human HT-29 cells ass... | 26182238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26182238 | 10.1021/acs.jmedchem.5b00460 | HT-29 | 1 |
| 26182238 | 10.1021/acs.jmedchem.5b00460 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine