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Compound Detail

CHEMBL483330

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COc1cc(/C(=N\C(=O)OC(C)(C)C)c2ccc3c(ccn3C)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483330
Phase Preclinical
Structure Type MOL
InChI Key BPOYLVMEMKVAQC-DAFNUICNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
4.98
ALogP
6
HBA
0
HBD
71.3
PSA (Ų)
0.54
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 C24H28N2O5
MW 424.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
18502133 10.1016/j.bmc.2008.04.054 Unchecked 1
18502133 10.1016/j.bmc.2008.04.054 HeLa 1
18502133 10.1016/j.bmc.2008.04.054 HT-29 1
18502133 10.1016/j.bmc.2008.04.054 A549 1
18502133 10.1016/j.bmc.2008.04.054 HL-60 1

Data from ChEMBL 36 via Core Engine