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Compound Detail

CHEMBL84620

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CCc1nc(O)c2c[nH]nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL84620
Phase Preclinical
Structure Type MOL
InChI Key GECPKVWDUUIBPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

164.2
MW (Da)
0.62
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8N4O
MW 164.17
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.84

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
24090917 10.1016/j.ejmech.2013.08.045 Trypanosoma cruzi 2
8691450 10.1021/jm950876u Xanthine dehydrogenase/oxidase 1
24090917 10.1016/j.ejmech.2013.08.045 Plasma 1

Data from ChEMBL 36 via Core Engine