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Compound Detail

CHEMBL168408

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

Basic Information

ChEMBL ID CHEMBL168408
Phase Preclinical
Structure Type MOL
InChI Key ANZYZQPWDHQGHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

180.3
MW (Da)
0.31
ALogP
2
HBA
1
HBD
63.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H16N2O2S
MW 180.27
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -0.79

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