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Compound Detail

CHEMBL489468

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

Basic Information

ChEMBL ID CHEMBL489468
Phase Preclinical
Structure Type MOL
InChI Key IRGONGYTFZACNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.81
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20O6
MW 368.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.12

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