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Compound Detail

CHEMBL327955

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C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL327955
Phase Preclinical
Structure Type MOL
InChI Key FEDZYPBAJPUXHT-FMQUCBEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
8.59
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H30O3
MW 498.62
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
8411012 10.1021/jm00072a015 Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine