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Compound Detail

CHEMBL336797

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N/C(=N\O)c1cn(COC(CO)CO)c2ncnc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL336797
Phase Preclinical
Structure Type MOL
InChI Key GQLBRPBHSQOGLY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
-1.56
ALogP
9
HBA
5
HBD
165.0
PSA (Ų)
0.18
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N6O4
MW 296.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
2913300 10.1021/jm00122a019 ADMET 3
2913300 10.1021/jm00122a019 L1210 2
2913300 10.1021/jm00122a019 Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine