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Compound Detail

CHEMBL400490

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CCN1C(=O)C(C)Oc2cc(C)c(-c3cc(/C=C/C(=O)O)ccc3OC(F)(F)F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL400490
Phase Preclinical
Structure Type MOL
InChI Key WDEIYCPPGYCBAL-SOFGYWHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
4.79
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F3NO5
MW 435.40
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.27

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