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Compound Detail

CHEMBL82756

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CCCCCc1nc(O)c2c[nH]nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82756
Phase Preclinical
Structure Type MOL
InChI Key CNFAAYNOTQHSFA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.79
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.75
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 C10H14N4O
MW 206.25
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.20

Literature References

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

Data from ChEMBL 36 via Core Engine