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Compound Detail

CHEMBL4458666

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COc1cc(OC)c(CCC(=O)CC(C)=O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458666
Phase Preclinical
Structure Type MOL
InChI Key OBFHUCDALOLCOD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
2.19
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20O5
MW 280.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.77

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31326241 10.1016/j.bmc.2019.07.008 HCT-116 1

Data from ChEMBL 36 via Core Engine