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Compound Detail

CHEMBL397017

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O=C1CSC(c2c(Cl)cccc2Cl)N1c1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL397017
Phase Preclinical
Structure Type MOL
InChI Key VZJBWVIFFMSOOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

381.3
MW (Da)
5.38
ALogP
4
HBA
0
HBD
33.2
PSA (Ų)
0.60
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10Cl2N2OS2
MW 381.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
17178227 10.1016/j.bmc.2006.12.003 Unchecked 3
17178227 10.1016/j.bmc.2006.12.003 Human immunodeficiency virus 1 2
17178227 10.1016/j.bmc.2006.12.003 MT4 1
17178227 10.1016/j.bmc.2006.12.003 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine