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

CHEMBL6028339

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=S(=O)(Nc1ncns1)c1ccc(OC[C@@H]2CNCCC2c2ccc(Cl)cc2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6028339
Phase Preclinical
Structure Type MOL
InChI Key PWDWJKYTQFZCLL-MBIQTGHCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.0
MW (Da)
3.90
ALogP
7
HBA
2
HBD
93.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClFN4O3S2
MW 482.99
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 8.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.07 8.07 8.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8.6 nM 8.07 Electrophysiological Assay : The following patch voltage clamp electrophysiology... -

Data from ChEMBL 36 via Core Engine