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Compound Detail

CHEMBL380410

OXYSOPHOCARPINE
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O=C1C=CC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380410
Name OXYSOPHOCARPINE
Phase Preclinical
Structure Type MOL
InChI Key QMGGMESMCJCABO-LHDUFFHYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
1.66
ALogP
2
HBA
0
HBD
43.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22N2O2
MW 262.35
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 2.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26189894 10.1016/j.bmcl.2015.06.097 Enterovirus A71 11
26189894 10.1016/j.bmcl.2015.06.097 Mus musculus 9
16364643 10.1016/j.bmcl.2005.11.073 Hepatitis B virus 4
16364643 10.1016/j.bmcl.2005.11.073 HepG2 1
21218816 10.1021/jm101325h HepG2 2.2.15 1
26132528 10.1021/acs.jnatprod.5b00325 Influenza A virus 1
26132528 10.1021/acs.jnatprod.5b00325 Unchecked 1
26132528 10.1021/acs.jnatprod.5b00325 Coxsackievirus B3 1
26132528 10.1021/acs.jnatprod.5b00325 MDCK 1

Data from ChEMBL 36 via Core Engine