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Compound Detail

CHEMBL3735041

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O=[N+]([O-])c1ccc(COc2nc3cc4cccnc4c(Cl)c3nc2-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL3735041
Phase Preclinical
Structure Type MOL
InChI Key JZXAHGNNHKBLRR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

442.9
MW (Da)
5.99
ALogP
6
HBA
0
HBD
91.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15ClN4O3
MW 442.86
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
26479028 10.1016/j.ejmech.2015.10.002 ADMET 3
26479028 10.1016/j.ejmech.2015.10.002 Human immunodeficiency virus 1 1
26479028 10.1016/j.ejmech.2015.10.002 MT4 1
26479028 10.1016/j.ejmech.2015.10.002 Bovine viral diarrhea virus 1 1
26479028 10.1016/j.ejmech.2015.10.002 Yellow fever virus 1
26479028 10.1016/j.ejmech.2015.10.002 NON-PROTEIN TARGET 1
26479028 10.1016/j.ejmech.2015.10.002 Coxsackievirus B5 1
26479028 10.1016/j.ejmech.2015.10.002 Human poliovirus 1 strain Sabin 1
26479028 10.1016/j.ejmech.2015.10.002 Respiratory syncytial virus 1
26479028 10.1016/j.ejmech.2015.10.002 Vesicular stomatitis virus 1
26479028 10.1016/j.ejmech.2015.10.002 Vaccinia virus 1
26479028 10.1016/j.ejmech.2015.10.002 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine