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Compound Detail

CHEMBL1577802

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O=C(O)c1cccnc1-c1ncccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1577802
Phase Preclinical
Structure Type MOL
InChI Key KNVZVRWMLMPTTJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
1.54
ALogP
4
HBA
2
HBD
100.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H8N2O4
MW 244.21
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
26022078 10.1016/j.bmc.2015.05.003 No relevant target 1
29551481 10.1016/j.bmcl.2018.03.002 Unchecked 1

Data from ChEMBL 36 via Core Engine