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Compound Detail

CHEMBL3581067

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COc1ccc2c(=O)c(OC)c(-c3cc(OC)c4c(c3)OCO4)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581067
Phase Preclinical
Structure Type MOL
InChI Key HZHNYQLMLQAKSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
3.21
ALogP
7
HBA
0
HBD
76.4
PSA (Ų)
0.71
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 C19H16O7
MW 356.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.77

Literature References

PubMed DOI Target Context # Activities
25466192 10.1016/j.bmcl.2014.11.015 BV-2 1
25466192 10.1016/j.bmcl.2014.11.015 ADMET 1

Data from ChEMBL 36 via Core Engine