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Compound Detail

CHEMBL520307

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Nc1ncnc2c1nc(NCCCP(=O)(O)O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL520307
Phase Preclinical
Structure Type MOL
InChI Key AGZDWDUZVPVAMI-WOUKDFQISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.3
MW (Da)
-2.00
ALogP
11
HBA
7
HBD
209.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21N6O7P
MW 404.32
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
19348494 10.1021/jm900078f Fructose-1,6-bisphosphatase 1 2

Data from ChEMBL 36 via Core Engine