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Compound Detail

CHEMBL246625

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CCN1C(=O)CC(C)(C)c2cc(C)c(-c3ccc(/C=C/C(=O)O)cc3OC(F)(F)F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246625
Phase Preclinical
Structure Type MOL
InChI Key FGLHWIKNCQKHSV-VQHVLOKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
5.69
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.60
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 C24H24F3NO4
MW 447.45
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.03

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