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Compound Detail

CHEMBL3142953

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COC(CN=[N+]=[N-])c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142953
Phase Preclinical
Structure Type MOL
InChI Key DHZFJNOERTYVQX-NKSXPTFNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
-0.82
ALogP
8
HBA
3
HBD
162.5
PSA (Ų)
0.35
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 C12H17N5O6
MW 327.30
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
11585457 10.1021/jm010226s Human alphaherpesvirus 1 3
11585457 10.1021/jm010226s Human alphaherpesvirus 2 2
11585457 10.1021/jm010226s Human alphaherpesvirus 3 1

Data from ChEMBL 36 via Core Engine