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Compound Detail

CHEMBL81308

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[N-]=[N+]=NC(Cn1cnc2c(O)nc(N)nc21)C(O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL81308
Phase Preclinical
Structure Type MOL
InChI Key HLYUQTKSZACKFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.2
MW (Da)
-0.85
ALogP
9
HBA
4
HBD
179.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12N8O3
MW 280.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.07

Literature References

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

Data from ChEMBL 36 via Core Engine