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Compound Detail

CHEMBL1739417

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Nc1ccc(/N=N/c2ccccc2)c(N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1739417
Phase Preclinical
Structure Type MOL
InChI Key IWRVPXDHSLTIOC-FOCLMDBBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

212.3
MW (Da)
3.27
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H12N4
MW 212.26
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.84

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24363888 10.1039/c3md00238a Unchecked 1
24363888 10.1039/c3md00238a DNA topoisomerase 2-alpha 1
24363888 10.1039/c3md00238a Escherichia coli 1
24363888 10.1039/c3md00238a DNA topoisomerase 1
24363888 10.1039/c3md00238a Bacillus subtilis 1

Data from ChEMBL 36 via Core Engine