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Compound Detail

CHEMBL108162

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Cc1cc2c(cc1C(=O)c1cccc(C(=O)O)c1)C(C)(C)CCC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108162
Phase Preclinical
Structure Type MOL
InChI Key GLVGHPNCCBMWFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
5.27
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.77
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26O3
MW 350.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
7636877 10.1021/jm00016a018 Retinoic acid receptor RXR-alpha 2
7636877 10.1021/jm00016a018 Retinoic acid receptor RXR-beta 2
7636877 10.1021/jm00016a018 Retinoic acid receptor RXR-gamma 2
19791803 10.1021/jm900496b Retinoic acid receptor RXR-alpha 1
19791803 10.1021/jm900496b Saccharomyces cerevisiae 1

Data from ChEMBL 36 via Core Engine