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Compound Detail

CHEMBL1683839

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CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5C=C[C@@](C)(CCC=C(C)C)O6)C4=O)C(=O)c4ccccc4C2=O)C3=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1683839
Phase Preclinical
Structure Type MOL
InChI Key ZOLRROMIWUWBKZ-CDKYPKJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

802.9
MW (Da)
9.97
ALogP
10
HBA
2
HBD
161.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H42O10
MW 802.88
Aromatic Rings 3
Heavy Atoms 60
NP-Likeness 1.21

Literature References

PubMed DOI Target Context # Activities
21333535 10.1016/j.bmcl.2011.01.109 Hepatitis B virus 1
21333535 10.1016/j.bmcl.2011.01.109 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine