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Compound Detail

CHEMBL247848

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

Basic Information

ChEMBL ID CHEMBL247848
Phase Preclinical
Structure Type MOL
InChI Key XLLSACQPXSUEHF-GXDHUFHOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
6.08
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.55
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 C25H26F3NO4
MW 461.48
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.03

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