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Compound Detail

CHEMBL316254

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CCCc1nc(O)c2c[nH]nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316254
Phase Preclinical
Structure Type MOL
InChI Key WJAMSGLYNDIKLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
1.01
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.72
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 C8H10N4O
MW 178.19
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
24090917 10.1016/j.ejmech.2013.08.045 No relevant target 10
24090917 10.1016/j.ejmech.2013.08.045 ADMET 2
8691450 10.1021/jm950876u Xanthine dehydrogenase/oxidase 1
24090917 10.1016/j.ejmech.2013.08.045 Plasma 1
24090917 10.1016/j.ejmech.2013.08.045 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine