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

CHEMBL282213

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
CS/C(=N\O)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1

Basic Information

ChEMBL ID CHEMBL282213
Phase Preclinical
Structure Type MOL
InChI Key QENJNZOYYVTEOQ-VZCXRCSSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
5.37
ALogP
5
HBA
1
HBD
41.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FNO2S2
MW 377.51
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 190.0 nM 6.72 In vitro inhibitory activity against LTB4 synthesis in A-23187 stimulated human ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00578-H Homo sapiens 1

Data from ChEMBL 36 via Core Engine