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Compound Detail

CHEMBL5403049

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Cc1cc(COc2ccc(C)c3c2CCC3)ccc1CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403049
Phase Preclinical
Structure Type MOL
InChI Key SUCQUJDMMPJBQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.00
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22O3
MW 310.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
36533416 10.1021/acs.jmedchem.2c01266 Retinoic acid receptor RXR-alpha 2
36533416 10.1021/acs.jmedchem.2c01266 Retinoic acid receptor RXR-beta 2
36533416 10.1021/acs.jmedchem.2c01266 Retinoic acid receptor RXR-gamma 2

Data from ChEMBL 36 via Core Engine