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Compound Detail

CHEMBL258643

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

Basic Information

ChEMBL ID CHEMBL258643
Phase Preclinical
Structure Type MOL
InChI Key OKPSBDFQGCZICS-LPWJYYESSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
-2.75
ALogP
11
HBA
5
HBD
205.5
PSA (Ų)
0.39
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 C10H15N7O5S
MW 345.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.41

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