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

CHEMBL4438548

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(/C=C/c1cccc(Cl)c1)NCC(=O)N(C1CC1)C1CCS(=O)(=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438548
Phase Preclinical
Structure Type MOL
InChI Key MBDSHCNPEYTEHT-QPJJXVBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
2.04
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23ClN2O4S
MW 410.92
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.55

Activity Summary

EC50 1 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DLD-1
CHEMBL614285
 EC50 6.41 6.41 390.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DLD-1 EC50 = 390.0 nM 6.41 Growth inhibition of human DLD1 cells -

Data from ChEMBL 36 via Core Engine