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Compound Detail

CHEMBL3793828

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C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N=[N+]=[N-])nc(N)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793828
Phase Preclinical
Structure Type MOL
InChI Key YHBVMABSFVHUAE-GITKWUPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
-0.65
ALogP
10
HBA
4
HBD
188.3
PSA (Ų)
0.33
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 C11H14N8O4
MW 322.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
26819659 10.1021/acsmedchemlett.5b00402 Hepatitis C virus 2
26819659 10.1021/acsmedchemlett.5b00402 PBMC 1
26819659 10.1021/acsmedchemlett.5b00402 CCRF-CEM 1
26819659 10.1021/acsmedchemlett.5b00402 Vero 1
26819659 10.1021/acsmedchemlett.5b00402 ADMET 1

Data from ChEMBL 36 via Core Engine