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Compound Detail

CHEMBL593750

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O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL593750
Phase Preclinical
Structure Type MOL
InChI Key UUKNZSWMFNQXES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

273.4
MW (Da)
2.98
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO2S
MW 273.36
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
19811921 10.1016/j.bmc.2009.09.030 Leishmania infantum 2
19811921 10.1016/j.bmc.2009.09.030 J774 1

Data from ChEMBL 36 via Core Engine