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Compound Detail

CHEMBL2397764

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COc1ccc([C@@]2(O)COc3cc(O)ccc3C2=O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2397764
Phase Preclinical
Structure Type MOL
InChI Key ITWVCZGLHWNQIQ-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
1.87
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.90
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 C17H16O6
MW 316.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.36

Literature References

PubMed DOI Target Context # Activities
23743282 10.1016/j.bmcl.2013.04.032 ADMET 1
23743282 10.1016/j.bmcl.2013.04.032 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine