Compound Detail
CHEMBL4741117
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
CCCOC(=O)N[C@H]1CCc2c(Cl)c(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21
Basic Information
| ChEMBL ID | CHEMBL4741117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSROZNRJNCKOTF-INIZCTEOSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
494.0
MW (Da)
5.24
ALogP
7
HBA
1
HBD
83.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against human A549 cells incubated for 72 hrs by sulf... | 32432867 |
| MCF7 | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against human MCF7 cells incubated for 72 hrs by sulf... | 32432867 |
| LoVo | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against human LoVo cells incubated for 72 hrs by sulf... | 32432867 |
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against human LoVo/DX cells incubated for 72 hrs by s... | 32432867 |
| BALB/3T3 | IC50 | = | 8.0 | nM | 8.1 | Cytotoxicity against mouse BALB/3T3 cells incubated for 72 hrs by sulforhodamine... | 32432867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32432867 | 10.1021/acs.jmedchem.0c00222 | A549 | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | MCF7 | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | LoVo | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | Unchecked | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | BALB/3T3 | 1 |
Data from ChEMBL 36 via Core Engine