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Compound Detail

CHEMBL3617855

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COc1ccc(-c2coc3c(C/C=C(\C)CCC=C(C)C)c(OC)cc(OC)c3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617855
Phase Preclinical
Structure Type MOL
InChI Key CERIUGQBEONBAH-VXLYETTFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
6.72
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32O5
MW 448.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 1.52

Literature References

PubMed DOI Target Context # Activities
26351039 10.1016/j.bmcl.2015.08.059 Unchecked 1

Data from ChEMBL 36 via Core Engine