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Compound Detail

CHEMBL1885822

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O=S(=O)(c1ccccc1)N1CCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1885822
Phase Preclinical
Structure Type MOL
InChI Key AVIIJCYFOVAPRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.44
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13NO2S
MW 259.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
28789893 10.1016/j.bmcl.2017.07.081 Plasmodium falciparum 3
28789893 10.1016/j.bmcl.2017.07.081 Leishmania donovani 2
28789893 10.1016/j.bmcl.2017.07.081 Trypanosoma cruzi 2
28789893 10.1016/j.bmcl.2017.07.081 Trypanosoma brucei rhodesiense 2

Data from ChEMBL 36 via Core Engine