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Compound Detail

CHEMBL594438

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O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594438
Phase Preclinical
Structure Type MOL
InChI Key ZZUZYJFLIKJQQA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.8
MW (Da)
3.63
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.94
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 C15H14ClNO2S
MW 307.80
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.72

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