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

CHEMBL484297

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)(Oc1cccc2cn[nH]c12)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484297
Phase Preclinical
Structure Type MOL
InChI Key NMNSIXPNRMMDKQ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
1.79
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5F3N2O3S
MW 266.20
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.25

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase, inducible 2
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 3 2
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine