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

CHEMBL1407693

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
Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1407693
Phase Preclinical
Structure Type MOL
InChI Key GWNAZDWZWCHGQC-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.9
MW (Da)
4.16
ALogP
4
HBA
0
HBD
46.3
PSA (Ų)
0.81
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 C17H19ClN2O2S
MW 350.87
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.15

Activity Summary

EC50 1 meas. best 4.96
IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.96 4.96 11040.0 1
HEK293
CHEMBL614818
 EC50 4.96 4.96 11090.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 EC50 = 11090.0 nM 4.96 PUBCHEM_BIOASSAY: PMA/Ionomycin-induced IL-8 production in HEK293- NF-kB-Luc sta... -
Unchecked IC50 = 11040.0 nM 4.96 PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... -

Data from ChEMBL 36 via Core Engine