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

CHEMBL558808

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(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL558808
Phase Preclinical
Structure Type MOL
InChI Key BWGMSQHDBFKYMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
6.16
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.44
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 C22H15F3N2OS
MW 412.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
19540759 10.1016/j.bmcl.2009.05.119 Acyl-CoA desaturase 1 1
19540759 10.1016/j.bmcl.2009.05.119 Stearoyl-CoA desaturase 1
19540759 10.1016/j.bmcl.2009.05.119 Acyl-CoA 6-desaturase 1

Data from ChEMBL 36 via Core Engine