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Compound Detail

CHEMBL489469

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COc1ccc2c(OC)c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489469
Phase Preclinical
Structure Type MOL
InChI Key YTXLCDNDYOYCRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
4.11
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.57
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 C22H22O6
MW 382.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
19053773 10.1021/jm8008635 KB 2
19053773 10.1021/jm8008635 NCI-H460 1
19053773 10.1021/jm8008635 HT-29 1
19053773 10.1021/jm8008635 MKN-45 1

Data from ChEMBL 36 via Core Engine