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Compound Detail

CHEMBL450058

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COc1cccc(Cn2c3ccccc3c(=O)c3ccccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450058
Phase Preclinical
Structure Type MOL
InChI Key CJNVUMOHFIPJHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
4.21
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17NO2
MW 315.37
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.59

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