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Compound Detail

CHEMBL82233

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[N-]=[N+]=NC(Cn1cnc2c(O)ncnc21)C(O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82233
Phase Preclinical
Structure Type MOL
InChI Key PKMLXOSXNUSLAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.2
MW (Da)
-0.44
ALogP
8
HBA
3
HBD
153.1
PSA (Ų)
0.38
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 C9H11N7O3
MW 265.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.03

Literature References

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

Data from ChEMBL 36 via Core Engine