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Compound Detail

CHEMBL235213

HYPSERPANINE B
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COc1ccc2c3c1-c1c(ccc(O)c1O)C[C@@H]3[N+](C)(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235213
Name HYPSERPANINE B
Phase Preclinical
Structure Type MOL
InChI Key DYOKJZQMJDVVFV-ZDUSSCGKSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.00
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H22NO3+
MW 312.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 2.15

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 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine