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Compound Detail

CHEMBL83421

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OCCCCn1cnc2c(O)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83421
Phase Preclinical
Structure Type MOL
InChI Key BZOSXNLDTQTFOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

208.2
MW (Da)
0.30
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.71
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 C9H12N4O2
MW 208.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
8057293 10.1021/jm00041a027 Purine nucleoside phosphorylase 2

Data from ChEMBL 36 via Core Engine