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Compound Detail

CHEMBL3745965

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COc1cc(C2COc3cc4c(c(OC)c3C2)C=CC(C)(C)O4)c(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3745965
Phase Preclinical
Structure Type MOL
InChI Key XKABRFUGMYKKFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
4.02
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24O6
MW 384.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 2.31

Literature References

PubMed DOI Target Context # Activities
26706112 10.1016/j.bmc.2015.11.040 Tyrosinase 2

Data from ChEMBL 36 via Core Engine