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Compound Detail

CHEMBL550446

SOPHORONOL
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COc1c(C2(O)COc3cc(O)cc(O)c3C2=O)ccc2c1C=CC(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL550446
Name SOPHORONOL
Phase Preclinical
Structure Type MOL
InChI Key SYJLLCMGTNPNAB-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.75
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O7
MW 384.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 2.64

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
19572738 10.1021/np900144c Plasmodium falciparum 1
19572738 10.1021/np900144c CHO 1
19572738 10.1021/np900144c Unchecked 1

Data from ChEMBL 36 via Core Engine