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Compound Detail

CHEMBL237765

DAURICUMIDINE
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COC1=CC(=O)[C@]2([C@@H](Cl)C[C@]34NCC[C@]23CC(=O)C(OC)=C4OC)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237765
Name DAURICUMIDINE
Phase Preclinical
Structure Type MOL
InChI Key SBALNGLYQFMKPR-MOSHLBJQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.8
MW (Da)
0.65
ALogP
7
HBA
2
HBD
94.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H22ClNO6
MW 383.83
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 3.10

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17723297 10.1016/j.bmcl.2007.08.027 Hepatitis B virus 2
17723297 10.1016/j.bmcl.2007.08.027 Unchecked 2
17723297 10.1016/j.bmcl.2007.08.027 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine