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Compound Detail

CHEMBL222164

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COc1cc(CCc2ccc(OC)cc2OC)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222164
Phase Preclinical
Structure Type MOL
InChI Key DCXIHQRTYWSKKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.51
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H22O4
MW 302.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
16919455 10.1016/j.bmcl.2006.08.018 Tyrosinase 2
16919455 10.1016/j.bmcl.2006.08.018 ADMET 2
16919455 10.1016/j.bmcl.2006.08.018 KB 1

Data from ChEMBL 36 via Core Engine