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Compound Detail

CHEMBL325293

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O=C1c2ccccc2C2=Nc3ccc([N+](=O)[O-])cc3CN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325293
Phase Preclinical
Structure Type MOL
InChI Key GYMCJMPLGBTTQG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

279.2
MW (Da)
2.64
ALogP
4
HBA
0
HBD
75.8
PSA (Ų)
0.59
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 C15H9N3O3
MW 279.25
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
7932571 10.1021/jm00046a028 CCRF-CEM 1
7932571 10.1021/jm00046a028 DNA topoisomerase 2-beta 1
7932571 10.1021/jm00046a028 Rattus norvegicus 1
7932571 10.1021/jm00046a028 ADMET 1

Data from ChEMBL 36 via Core Engine