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Compound Detail

CHEMBL479553

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COc1cc(C(=O)n2ccc3cc(CO)ccc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL479553
Phase Preclinical
Structure Type MOL
InChI Key ZRLAPRBDFOAQNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.85
ALogP
6
HBA
1
HBD
69.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO5
MW 341.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.26

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