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Compound Detail

CHEMBL337647

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O=C(NO)N/N=C/c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337647
Phase Preclinical
Structure Type MOL
InChI Key HTPKGNSSLQBQRI-WEVVVXLNSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
0.10
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8N4O2
MW 180.17
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.76

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
11784145 10.1021/jm010252q No relevant target 2
11784145 10.1021/jm010252q L1210 1
14521406 10.1021/jm030016a L1210 1
21536434 10.1016/j.bmcl.2011.04.009 L1210 1

Data from ChEMBL 36 via Core Engine