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Compound Detail

CHEMBL240715

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O=C1C=C2OC[C@H]3c4cc5c(cc4O[C@H]3[C@@]2(O)CC1)OCO5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL240715
Phase Preclinical
Structure Type MOL
InChI Key IFWVGNKYQITBOH-AMKSKSKJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
1.27
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O6
MW 302.28
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.54

Literature References

PubMed DOI Target Context # Activities
17158054 10.1016/j.bmc.2006.09.024 U-937 3

Data from ChEMBL 36 via Core Engine