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Compound Detail

CHEMBL403973

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OC[C@H]1O[C@@H](n2cnc3c(CCSCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403973
Phase Preclinical
Structure Type MOL
InChI Key HARQLIHMBDRVBH-KLICCBINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
0.91
ALogP
9
HBA
3
HBD
113.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N4O4S
MW 402.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.30

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