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Compound Detail

CHEMBL400868

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

Basic Information

ChEMBL ID CHEMBL400868
Phase Preclinical
Structure Type MOL
InChI Key JVMQACJIHQWDIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

451.4
MW (Da)
5.06
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F3NO5
MW 451.44
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
17490875 10.1016/j.bmcl.2007.01.049 Unchecked 1
17490875 10.1016/j.bmcl.2007.01.049 Retinoic acid receptor RXR-alpha 1

Data from ChEMBL 36 via Core Engine