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Compound Detail

CHEMBL339116

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O=C(O)COc1ccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL339116
Phase Preclinical
Structure Type MOL
InChI Key ZHMCORRWGPWKPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
5.79
ALogP
6
HBA
1
HBD
98.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18N2O5
MW 438.44
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.52

Literature References

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

Data from ChEMBL 36 via Core Engine