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Compound Detail

CHEMBL563182

SOPHORONOL A
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CC1(C)C=Cc2c(ccc([C@]3(O)COc4cc(O)cc(O)c4C3=O)c2O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL563182
Name SOPHORONOL A
Phase Preclinical
Structure Type MOL
InChI Key NDCXIIAUSGBKRL-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.45
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.61
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 C20H18O7
MW 370.36
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 2.70

Literature References

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

Data from ChEMBL 36 via Core Engine