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Compound Detail

CHEMBL3142822

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NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2N)c2ncnc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142822
Phase Preclinical
Structure Type MOL
InChI Key HYORTPMDTQQBTL-ADVRJHOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
-2.31
ALogP
9
HBA
5
HBD
175.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N6O4
MW 308.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
2175356 10.1021/jm00174a011 ADMET 2
2175356 10.1021/jm00174a011 Human betaherpesvirus 5 1
2175356 10.1021/jm00174a011 Human alphaherpesvirus 1 1
2175356 10.1021/jm00174a011 HFF 1
2175356 10.1021/jm00174a011 L1210 1

Data from ChEMBL 36 via Core Engine