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Compound Detail

CHEMBL3781759

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CC1(C)CCC(C)(C)c2cc3c(cc21)OC1CCCCC31c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781759
Phase Preclinical
Structure Type MOL
InChI Key NAFZHFJZKFMZNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
6.36
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32O2
MW 376.54
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.08

Literature References

PubMed DOI Target Context # Activities
26820900 10.1021/acs.jmedchem.5b01702 Retinoic acid receptor RXR-alpha 1

Data from ChEMBL 36 via Core Engine