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Compound Detail

CHEMBL3093000

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CN(C)S(=O)(=O)NCC1COc2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3093000
Phase Preclinical
Structure Type MOL
InChI Key GHLUAFLBGLTFJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
0.22
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N2O4S
MW 272.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
24205976 10.1021/jm400894u Mus musculus 1
24205976 10.1021/jm400894u Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine