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Compound Detail

CHEMBL443229

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OC[C@H]1O[C@@H](n2cnc3c(CCSc4nccs4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL443229
Phase Preclinical
Structure Type MOL
InChI Key NYNWBFHGLPTARX-XIDUGBJDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
0.23
ALogP
11
HBA
3
HBD
126.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5O4S2
MW 395.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.01

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