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Compound Detail

CHEMBL411684

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Nc1ncnc2c1ncn2[C@@H]1C[C@H](OS(N)(=O)=O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL411684
Phase Preclinical
Structure Type MOL
InChI Key JFPAPRZNHYZTIA-HETMPLHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
-2.34
ALogP
10
HBA
4
HBD
179.5
PSA (Ų)
0.48
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 C10H14N6O5S
MW 330.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.61

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