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Compound Detail

CHEMBL3330207

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Cc1ccsc1[C@@H]1C[C@H](O)Cc2ccccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330207
Phase Preclinical
Structure Type MOL
InChI Key COEURUQLHAMOGI-OCCSQVGLSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
3.52
ALogP
3
HBA
2
HBD
32.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NOS
MW 259.37
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.16

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25173828 10.1016/j.ejmech.2014.08.055 Trypanosoma cruzi 2
25173828 10.1016/j.ejmech.2014.08.055 Unchecked 2
25173828 10.1016/j.ejmech.2014.08.055 Leishmania infantum 2
25173828 10.1016/j.ejmech.2014.08.055 Vero 1
25173828 10.1016/j.ejmech.2014.08.055 THP-1 1

Data from ChEMBL 36 via Core Engine