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Compound Detail

CHEMBL1970394

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COc1cc(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1970394
Phase Preclinical
Structure Type MOL
InChI Key KZBUZACVMLEHTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
2.91
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.78
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 C18H14O7
MW 342.30
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 1.10

Literature References

PubMed DOI Target Context # Activities
26928423 10.1021/acs.jnatprod.5b01054 Plasmodium falciparum 2
26928423 10.1021/acs.jnatprod.5b01054 Vero 1
26928423 10.1021/acs.jnatprod.5b01054 KB 1

Data from ChEMBL 36 via Core Engine