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Compound Detail

CHEMBL2087255

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CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N+]([O-])(C[C@H]2O)[C@H]3C1)OCO5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2087255
Phase Preclinical
Structure Type MOL
InChI Key WEAASUAQILEOOI-KKVFJWACSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
1.20
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.48
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 C17H19NO5
MW 317.34
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.44

Literature References

PubMed DOI Target Context # Activities
22910226 10.1016/j.bmc.2012.07.036 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine