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Compound Detail

CHEMBL5569154

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C#CN(C)S(=O)(=O)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5569154
Phase Preclinical
Structure Type MOL
InChI Key NUUYPEMZWMLGIL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
2.05
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11NO2S
MW 245.30
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.15

Literature References

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

Data from ChEMBL 36 via Core Engine