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Compound Detail

CHEMBL518742

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COc1cc(/C=N/O)c(-c2ccccc2/C=N/O)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL518742
Phase Preclinical
Structure Type MOL
InChI Key XQFLBDCMATYBRE-VNIJRHKQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
3.00
ALogP
7
HBA
2
HBD
92.9
PSA (Ų)
0.48
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 C17H18N2O5
MW 330.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
18782668 10.1016/j.bmcl.2008.08.050 DU-145 1
18782668 10.1016/j.bmcl.2008.08.050 A549 1
18782668 10.1016/j.bmcl.2008.08.050 KB 1
18782668 10.1016/j.bmcl.2008.08.050 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine