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Compound Detail

CHEMBL491481

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COc1ccc2c(C=O)c(-c3cc4c(cc3O)OCO4)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491481
Phase Preclinical
Structure Type MOL
InChI Key LCDQUVGVHYDBBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
3.36
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.75
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 C17H12O6
MW 312.28
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
16441066 10.1021/np0502600 Leishmania donovani 1
16441066 10.1021/np0502600 Trypanosoma brucei brucei 1
16441066 10.1021/np0502600 Vero 1
16441066 10.1021/np0502600 PC-3 1

Data from ChEMBL 36 via Core Engine