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Compound Detail

CHEMBL3746877

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CC(C)=CCC/C(C)=C/Cc1cc(C2Oc3cc(O)c(C)c(O)c3C(=O)C2=O)ccc1O

Basic Information

ChEMBL ID CHEMBL3746877
Phase Preclinical
Structure Type MOL
InChI Key BQHNWTLZOFCOPV-OVCLIPMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
5.23
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28O6
MW 436.50
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 2.10

Literature References

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

Data from ChEMBL 36 via Core Engine