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Compound Detail

CHEMBL4855573

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CN(C)c1cccc(-c2oc(CCC(=O)O)nc2-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4855573
Phase Preclinical
Structure Type MOL
InChI Key SOCVPZOMDREVHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.09
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O3
MW 336.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
33793232 10.1021/acs.jmedchem.1c00235 Retinoic acid receptor RXR-alpha 3
33793232 10.1021/acs.jmedchem.1c00235 Retinoic acid receptor RXR-beta 3
33793232 10.1021/acs.jmedchem.1c00235 Retinoic acid receptor RXR-gamma 1

Data from ChEMBL 36 via Core Engine