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Compound Detail

CHEMBL3746555

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CC(C)=CCc1c(O)ccc(C2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746555
Phase Preclinical
Structure Type MOL
InChI Key RIWDYFGEQJAMKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
4.89
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.51
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 C25H28O6
MW 424.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.92

Literature References

PubMed DOI Target Context # Activities
26706112 10.1016/j.bmc.2015.11.040 Tyrosinase 2
32196343 10.1021/acs.jnatprod.9b00262 Tyrosine-protein phosphatase non-receptor type 1 1
32196343 10.1021/acs.jnatprod.9b00262 HepG2 1
32196343 10.1021/acs.jnatprod.9b00262 Unchecked 1

Data from ChEMBL 36 via Core Engine