Compound Detail
CHEMBL2165860
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
COc1ccc(/C=C/C(=O)N2CC(COS(=O)(=O)Cc3ccccc3)c3c2cc([N+](=O)[O-])c2cc(C#N)ccc32)cc1O
Basic Information
| ChEMBL ID | CHEMBL2165860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZXKNXRNJNGUNG-FMIVXFBMSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
599.6
MW (Da)
5.02
ALogP
9
HBA
1
HBD
160.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SiHa | IC50 | = | 19.0 | nM | 7.72 | Cytotoxicity against human SiHa cells under hypoxic condition assessed as inhibi... | 22339090 |
| SiHa | IC50 | = | 570.0 | nM | 6.24 | Cytotoxicity against human SiHa cells under oxic condition assessed as inhibitio... | 22339090 |
| HT-29 | IC50 | = | 620.0 | nM | 6.21 | Cytotoxicity against human HT-29 cells under hypoxic condition assessed as inhib... | 22339090 |
| HT-29 | IC50 | = | 3400.0 | nM | 5.47 | Cytotoxicity against human HT-29 cells under oxic condition assessed as inhibiti... | 22339090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22339090 | 10.1021/jm201717y | SiHa | 6 |
| 22339090 | 10.1021/jm201717y | HT-29 | 3 |
Data from ChEMBL 36 via Core Engine