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

CHEMBL3904668

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=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc3c(c21)C(CC(=O)N1CCOCC1)Oc1ccccc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3904668
Phase Preclinical
Structure Type MOL
InChI Key ITZZYUNAWQWPAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

536.5
MW (Da)
4.78
ALogP
5
HBA
0
HBD
76.2
PSA (Ų)
0.45
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 C29H23F3N2O5
MW 536.51
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
27487567 10.1016/j.ejmech.2016.07.044 Unchecked 1

Data from ChEMBL 36 via Core Engine