Compound Detail
CHEMBL3601486
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O=S(=O)(c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N3CCCCCCCCCCC3)ccc1C2=NO)N1CCCCCCCCCCC1
Basic Information
| ChEMBL ID | CHEMBL3601486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAFUXHONVHRIFC-JXPYRENWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
701.0
MW (Da)
7.48
ALogP
8
HBA
2
HBD
139.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | 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