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

CHEMBL496951

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
COc1ccc(/C=C\c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496951
Phase Preclinical
Structure Type MOL
InChI Key ARBGJUWPWCCEQP-IHWYPQMZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.2
MW (Da)
4.19
ALogP
3
HBA
0
HBD
52.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10F3NO3
MW 309.24
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
18710804 10.1016/j.bmcl.2008.07.070 Unchecked 1
18710804 10.1016/j.bmcl.2008.07.070 NCI-H460 1
18710804 10.1016/j.bmcl.2008.07.070 DU-145 1

Data from ChEMBL 36 via Core Engine