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Compound Detail

CHEMBL410221

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O=C(O)CSCc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL410221
Phase Preclinical
Structure Type MOL
InChI Key AIEPDBXFNCJVEK-GDECHXLSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
-1.24
ALogP
10
HBA
4
HBD
150.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4O6S
MW 356.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.50

Literature References

PubMed DOI Target Context # Activities
18078757 10.1016/j.bmc.2007.11.067 L1210 1
18078757 10.1016/j.bmc.2007.11.067 HL-60 1
18078757 10.1016/j.bmc.2007.11.067 CCRF-CEM 1
18078757 10.1016/j.bmc.2007.11.067 Hepatitis C virus 1
18078757 10.1016/j.bmc.2007.11.067 NON-PROTEIN TARGET 1
18078757 10.1016/j.bmc.2007.11.067 HeLa 1

Data from ChEMBL 36 via Core Engine