Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL27666

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
O=C(NO)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL27666
Phase Preclinical
Structure Type MOL
InChI Key CPXITLOGZQPHIB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
1.28
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N2O4S
MW 312.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 4.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HCT-116
CHEMBL394
 IC50 4.11 4.11 77900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HCT-116 IC50 = 77900.0 nM 4.11 Tested for antiproliferative activity against HCT116 colorectal human carcinoma ... 11992774

Literature References

PubMed DOI Target Context # Activities
11992774 10.1016/s0960-894x(02)00175-0 HCT-116 1

Data from ChEMBL 36 via Core Engine