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Compound Detail

CHEMBL480702

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COc1ccc2c(c1)cc(CO)n2C(=O)c1cc(OC)c(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480702
Phase Preclinical
Structure Type MOL
InChI Key WYSFCJZGRKFQCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
2.86
ALogP
7
HBA
1
HBD
79.2
PSA (Ų)
0.72
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 C20H21NO6
MW 371.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
18588280 10.1021/jm800150d KB 1
18588280 10.1021/jm800150d NCI-H460 1
18588280 10.1021/jm800150d MKN-45 1
18588280 10.1021/jm800150d NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine