Compound Detail
CHEMBL3409831
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Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3409831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPWKPDPYMAVEEE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.76
ALogP
5
HBA
2
HBD
118.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.35 | 4.35 | 44800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 44800.0 | nM | 4.35 | Cytotoxicity against human HepG2 cells assessed as surviving fraction ratio afte... | 25618015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25618015 | 10.1016/j.ejmech.2015.01.036 | HepG2 | 5 |
Data from ChEMBL 36 via Core Engine