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Compound Detail

CHEMBL1641900

SANGUINOLIGNAN B
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O=C1OC[C@@H]([C@H](O)c2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1641900
Name SANGUINOLIGNAN B
Phase Preclinical
Structure Type MOL
InChI Key VFLHIZSORMIUMV-OCBCSQNSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

384.3
MW (Da)
1.85
ALogP
8
HBA
1
HBD
100.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H16O8
MW 384.34
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20954722 10.1021/np1005357 Leishmania amazonensis 1
20954722 10.1021/np1005357 ADMET 1
20954722 10.1021/np1005357 Vero 1
20954722 10.1021/np1005357 MCF7 1

Data from ChEMBL 36 via Core Engine