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Compound Detail

CHEMBL3142948

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

Basic Information

ChEMBL ID CHEMBL3142948
Phase Preclinical
Structure Type MOL
InChI Key AKDMQRBDHAWQJV-KKVHJZIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
-1.48
ALogP
8
HBA
4
HBD
173.5
PSA (Ų)
0.29
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 C11H15N5O6
MW 313.27
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.91

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