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

CHEMBL247855

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
CCN1C(=O)OC(C)(C)c2cc(C)c(-c3cc(/C=C/C(=O)O)ccc3OC(F)(F)F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247855
Phase Preclinical
Structure Type MOL
InChI Key DNMYAXYNFBZYLV-VQHVLOKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.4
MW (Da)
5.87
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22F3NO5
MW 449.43
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
17485209 10.1016/j.bmcl.2007.01.047 Unchecked 1
17485209 10.1016/j.bmcl.2007.01.047 Retinoic acid receptor RXR-alpha 1

Data from ChEMBL 36 via Core Engine