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Compound Detail

CHEMBL261869

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Nc1nc(N)c2ncn([C@@H]3C[C@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]3O)c2n1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261869
Phase Preclinical
Structure Type MOL
InChI Key WQRBXLKWVCRMQC-QTAJHNDFSA-M
Parent Compound CHEMBL1206317
Active Moiety CHEMBL1206317
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
-2.15
ALogP
11
HBA
5
HBD
199.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N6NaO6S
MW 368.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.95

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