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Compound Detail

CHEMBL483456

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O=c1c2ccccc2n(Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483456
Phase Preclinical
Structure Type MOL
InChI Key WKKATJBENFZAOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
7.36
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H27NO3
MW 497.59
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
18713666 10.1016/j.bmc.2008.07.086 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine