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

CHEMBL4227792

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
Nc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2OC(F)(F)F)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4227792
Phase Preclinical
Structure Type MOL
InChI Key AFWDMRRAPHFBDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
5.54
ALogP
5
HBA
1
HBD
65.2
PSA (Ų)
0.43
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 C18H10F6N2O2S
MW 432.35
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
29534930 10.1016/j.bmcl.2018.03.001 Nuclear receptor ROR-beta 1
29534930 10.1016/j.bmcl.2018.03.001 Nuclear receptor ROR-gamma 1

Data from ChEMBL 36 via Core Engine