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Compound Detail

CHEMBL418126

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COc1ccc2cc(C3C(OC(C)=O)C(=O)N3c3cc(OC)c(OC)c(OC)c3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL418126
Phase Preclinical
Structure Type MOL
InChI Key VQOFHADONFVRNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
3.89
ALogP
7
HBA
0
HBD
83.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25NO7
MW 451.48
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
15080975 10.1016/j.bmcl.2004.02.050 IMR-32 1

Data from ChEMBL 36 via Core Engine