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Compound Detail

CHEMBL5423123

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OC[C@@H]1C[C@H]1c1nc(-c2ccccc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5423123
Phase Preclinical
Structure Type MOL
InChI Key GQHICRTXIJFNDS-XJKSGUPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
6.14
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15F6NO2
MW 427.34
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
38064686 10.1021/acs.jmedchem.3c01435 Retinoic acid receptor RXR-alpha 2
38064686 10.1021/acs.jmedchem.3c01435 Retinoic acid receptor RXR-beta 2
38064686 10.1021/acs.jmedchem.3c01435 Retinoic acid receptor RXR-gamma 2
38064686 10.1021/acs.jmedchem.3c01435 No relevant target 1
- 10.6019/CHEMBL5463726 Retinoic acid receptor RXR-alpha 1
- 10.6019/CHEMBL5463726 Retinoic acid receptor RXR-beta 1
- 10.6019/CHEMBL5463726 Retinoic acid receptor RXR-gamma 1

Data from ChEMBL 36 via Core Engine