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Compound Detail

CHEMBL4092142

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NS(=O)(=O)c1ccc(NC(=S)NCCN2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092142
Phase Preclinical
Structure Type MOL
InChI Key QPLZYOSAFQVOIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
-0.05
ALogP
5
HBA
3
HBD
96.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20N4O3S2
MW 344.46
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -2.56

Literature References

PubMed DOI Target Context # Activities
28433681 10.1016/j.ejmech.2017.03.050 Acetylcholinesterase 3
28433681 10.1016/j.ejmech.2017.03.050 Unchecked 1

Data from ChEMBL 36 via Core Engine