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Compound Detail

CHEMBL234980

HYPSERPANINE A
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CCN(CC)C1=CC(=O)[C@]2([C@@H](Cl)C[C@@]34C(OC)=C(OC)C(=O)C[C@@]23CCN4C)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL234980
Name HYPSERPANINE A
Phase Preclinical
Structure Type MOL
InChI Key GSPWOIUNBWNJMP-NIXKLGBSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

438.9
MW (Da)
1.69
ALogP
7
HBA
1
HBD
79.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H31ClN2O5
MW 438.95
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 2.16

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