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Compound Detail

CHEMBL1673328

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O=S(=O)(Cc1noc(-c2cccs2)n1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1673328
Phase Preclinical
Structure Type MOL
InChI Key ZDQZUHSSQHCPIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
2.91
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9FN2O3S2
MW 324.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.89

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
30523084 10.1126/science.aat9446 HepG2-CD81 2
20625148 10.1128/aac.00313-10 Cyclic nucleotide specific phosphodiesterase 1
20625148 10.1128/aac.00313-10 Trypanosoma cruzi 1
20625148 10.1128/aac.00313-10 ADMET 1

Data from ChEMBL 36 via Core Engine