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

CHEMBL5936312

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)(Nc1ccncn1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1CCF
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5936312
Phase Preclinical
Structure Type MOL
InChI Key ZOIWLLUKZWWVRB-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

481.5
MW (Da)
4.72
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19F4N3O3S
MW 481.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4.0 nM 8.4 Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... -

Data from ChEMBL 36 via Core Engine