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Compound Detail

CHEMBL84772

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CCCCc1nc(O)c2c[nH]nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL84772
Phase Preclinical
Structure Type MOL
InChI Key ZLIATIQTXWLKGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
1.40
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12N4O
MW 192.22
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
8691450 10.1021/jm950876u Xanthine dehydrogenase/oxidase 1

Data from ChEMBL 36 via Core Engine