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Compound Detail

CHEMBL3314711

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COc1cc2c(cc1OC)-c1c(cc(OC)c(OC)c1OC)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314711
Phase Preclinical
Structure Type MOL
InChI Key UXPMGFOMOMHUTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.50
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H22O5
MW 330.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.77

Literature References

PubMed DOI Target Context # Activities
24963714 10.1021/np400831p RAW264.7 2

Data from ChEMBL 36 via Core Engine