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Compound Detail

CHEMBL4555347

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O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1cc2c(o1)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4555347
Phase Preclinical
Structure Type MOL
InChI Key IRUVNWNTADWJND-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
5.62
ALogP
4
HBA
0
HBD
64.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H16O4
MW 404.42
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
30472602 10.1016/j.ejmech.2018.10.067 HepG2 1
30472602 10.1016/j.ejmech.2018.10.067 U-251 1
30472602 10.1016/j.ejmech.2018.10.067 PC-3 1
30472602 10.1016/j.ejmech.2018.10.067 CT26 1
30472602 10.1016/j.ejmech.2018.10.067 HT-29 1

Data from ChEMBL 36 via Core Engine