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Compound Detail

CHEMBL5279241

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Cn1c(Cn2ccn3cc([N+](=O)[O-])nc3c2=O)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5279241
Phase Preclinical
Structure Type MOL
InChI Key RVZIXUNZJXKABD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
1.34
ALogP
8
HBA
0
HBD
100.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N6O3
MW 324.30
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.83

Literature References

PubMed DOI Target Context # Activities
33151678 10.1021/acs.jmedchem.0c01372 No relevant target 4
33151678 10.1021/acs.jmedchem.0c01372 Mycobacterium tuberculosis 2
33151678 10.1021/acs.jmedchem.0c01372 Trypanosoma brucei brucei 1
33151678 10.1021/acs.jmedchem.0c01372 Trypanosoma cruzi 1
33151678 10.1021/acs.jmedchem.0c01372 HEK293 1

Data from ChEMBL 36 via Core Engine