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Compound Detail

CHEMBL79666

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NC(Cn1cnc2c(O)ncnc21)C(O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79666
Phase Preclinical
Structure Type MOL
InChI Key YMQWBLRLMCNGGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
-1.79
ALogP
8
HBA
4
HBD
130.3
PSA (Ų)
0.50
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 C9H13N5O3
MW 239.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.12

Literature References

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

Data from ChEMBL 36 via Core Engine