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Compound Detail

CHEMBL3746021

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CC(C)=CCC/C(C)=C/COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746021
Phase Preclinical
Structure Type MOL
InChI Key UGUMERUKCYSOKE-CXUHLZMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
5.65
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26O6
MW 422.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 1.83

Literature References

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

Data from ChEMBL 36 via Core Engine