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Compound Detail

CHEMBL399765

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Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OC(F)(F)F)NC(=O)CC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL399765
Phase Preclinical
Structure Type MOL
InChI Key HJBICMLZCMFRAD-FNORWQNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
5.28
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.66
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 C22H20F3NO4
MW 419.40
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.36

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