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Compound Detail

CHEMBL549872

ETAROTENE
🧪 Phase II
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🧪 Phase II
CCS(=O)(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL549872
Name ETAROTENE
Phase Phase II
Structure Type MOL
InChI Key UDAZCXVIYSIEFX-FBMGVBCBSA-N

Known Names

Etarotene Etaroteno RO 15-1570/000 RO-15-1570/000 RO-151570000
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
5
Known Names

Molecular Properties

396.6
MW (Da)
6.39
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -arotene
USAN Year 1990

Extended Properties

Molecular Formula C25H32O2S
MW 396.60
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.37

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19216007 10.1016/j.ejmech.2009.01.001 Unchecked 1

Data from ChEMBL 36 via Core Engine