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Compound Detail

CHEMBL4647749

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CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4647749
Phase Preclinical
Structure Type MOL
InChI Key NURRTZMESNBTHD-GHVJWSGMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

582.8
MW (Da)
10.06
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H54O6
MW 582.82
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
32243160 10.1021/acs.jnatprod.0c00027 KB 3-1 1
32243160 10.1021/acs.jnatprod.0c00027 NCI-H460 1
32243160 10.1021/acs.jnatprod.0c00027 HEK293 1
32243160 10.1021/acs.jnatprod.0c00027 MCF7 1

Data from ChEMBL 36 via Core Engine