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Compound Detail

CHEMBL472787

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COc1ccc2[nH]c3c(c2c1)CCn1c-3c(O)c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472787
Phase Preclinical
Structure Type MOL
InChI Key KZMNRDNUSFASCT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.42
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O3
MW 332.36
Aromatic Rings 4
Heavy Atoms 25

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19254847 10.1016/j.bmc.2009.02.015 Aorta 2

Data from ChEMBL 36 via Core Engine