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Compound Detail

CHEMBL1797798

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COc1ccc(/C=C/C(=O)/C(C)=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1797798
Phase Preclinical
Structure Type MOL
InChI Key CQBXDAPYUFNDGT-QDUGDBSPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
4.85
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26O6
MW 410.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
25753330 10.1016/j.bmc.2015.02.003 Epidermal growth factor receptor 2
21601463 10.1016/j.bmc.2011.04.055 Radical scavenging activity 1
25753330 10.1016/j.bmc.2015.02.003 Unchecked 1
25753330 10.1016/j.bmc.2015.02.003 NCI-H1975 1

Data from ChEMBL 36 via Core Engine