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Compound Detail

CHEMBL355690

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

Basic Information

ChEMBL ID CHEMBL355690
Phase Preclinical
Structure Type MOL
InChI Key UEJUDXAOVYNHFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
0.80
ALogP
2
HBA
1
HBD
63.4
PSA (Ų)
0.73
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 C8H20N2O2S
MW 208.33
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
12617903 10.1016/s0960-894x(03)00028-3 Carbonic anhydrase 1 1
12617903 10.1016/s0960-894x(03)00028-3 Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine