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Compound Detail

CHEMBL5562744

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C#CN(C)S(=O)(=O)c1ccc(CN2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5562744
Phase Preclinical
Structure Type MOL
InChI Key RSYAPJDYUMRRQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
0.73
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O3S
MW 294.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
38265413 10.1021/acs.jmedchem.3c01608 ASPC1 1

Data from ChEMBL 36 via Core Engine