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Compound Detail

CHEMBL404196

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CSCCc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404196
Phase Preclinical
Structure Type MOL
InChI Key PSRPSQUODXRSIF-UORFTKCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
-0.66
ALogP
9
HBA
3
HBD
113.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N4O4S
MW 326.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.75

Literature References

PubMed DOI Target Context # Activities
17997319 10.1016/j.bmc.2007.10.063 L1210 1
17997319 10.1016/j.bmc.2007.10.063 HL-60 1
17997319 10.1016/j.bmc.2007.10.063 CCRF-CEM 1
17997319 10.1016/j.bmc.2007.10.063 Hepatitis C virus 1
17997319 10.1016/j.bmc.2007.10.063 ADMET 1

Data from ChEMBL 36 via Core Engine