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Compound Detail

CHEMBL342961

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N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)nc3)o2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342961
Phase Preclinical
Structure Type MOL
InChI Key XNGXPPQPJOKVMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
1.80
ALogP
7
HBA
5
HBD
153.6
PSA (Ų)
0.21
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N6O3
MW 338.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
14561095 10.1021/jm0302602 Mus musculus 2
14561095 10.1021/jm0302602 Nucleic Acid 1
14561095 10.1021/jm0302602 Trypanosoma brucei rhodesiense 1
14561095 10.1021/jm0302602 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine