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Compound Detail

CHEMBL340903

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O=C(O)COc1cccc(-c2oc(-c3ccccc3)nc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340903
Phase Preclinical
Structure Type MOL
InChI Key ZJXKPOJOZYQRPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
7.46
ALogP
6
HBA
1
HBD
98.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H22N2O5
MW 514.54
Aromatic Rings 6
Heavy Atoms 39
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
7504734 10.1021/jm00076a018 Homo sapiens 2

Data from ChEMBL 36 via Core Engine