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Compound Detail

CHEMBL5275021

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O=C1/C(=C/c2ccccc2O)COC/C1=C\c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5275021
Phase Preclinical
Structure Type MOL
InChI Key BXWHUWVAVUHWCW-KAVGSWPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.16
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16O4
MW 308.33
Aromatic Rings 2
Heavy Atoms 23

Literature References

PubMed DOI Target Context # Activities
32172081 10.1016/j.ejmech.2020.112177 MDA-MB-231 1
32172081 10.1016/j.ejmech.2020.112177 RPMI-7951 1

Data from ChEMBL 36 via Core Engine