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Compound Detail

CHEMBL493346

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Cn1c(Sc2nc3ccc(Cl)cc3s2)nnc1-c1ccc(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL493346
Phase Preclinical
Structure Type MOL
InChI Key AUNQGJDISIDNHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.8
MW (Da)
6.20
ALogP
6
HBA
0
HBD
43.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9Cl3N4S2
MW 427.77
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.35

Literature References

PubMed DOI Target Context # Activities
19282190 10.1016/j.bmc.2009.02.046 Unchecked 2

Data from ChEMBL 36 via Core Engine