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Compound Detail

CHEMBL4556279

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[N-]=[N+]=N[C@H]1[C@H]2OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)(O)OC[C@H]1O[C@H]2n1cnc2c(=O)[nH]c(N)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556279
Phase Preclinical
Structure Type MOL
InChI Key XUEIBXCAJDYYBE-XBNNLADJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

699.4
MW (Da)
-1.02
ALogP
20
HBA
6
HBD
358.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N13O12P2
MW 699.43
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness 0.75

Literature References

PubMed DOI Target Context # Activities
31820978 10.1021/acs.jmedchem.9b01039 Stimulator of interferon genes protein 2

Data from ChEMBL 36 via Core Engine