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Compound Detail

CHEMBL259669

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Nc1ncnc2c1ncn2[C@@H]1C[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]1O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259669
Phase Preclinical
Structure Type MOL
InChI Key NQFPUPXTSACVSA-IPJCHFDKSA-M
Parent Compound CHEMBL1206303
Active Moiety CHEMBL1206303
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
-1.74
ALogP
10
HBA
4
HBD
173.7
PSA (Ų)
0.47
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 C10H12N5NaO6S
MW 353.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.17

Literature References

PubMed DOI Target Context # Activities
18374570 10.1016/j.bmcl.2008.03.029 Unchecked 2
18374570 10.1016/j.bmcl.2008.03.029 Adenosylhomocysteinase 2

Data from ChEMBL 36 via Core Engine