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Compound Detail

CHEMBL1207990

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O=S(=O)(O)NS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207990
Phase Preclinical
Structure Type MOL
InChI Key VKHQYTLHHOQKSC-UHFFFAOYSA-N
0
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
-1.82
ALogP
4
HBA
3
HBD
120.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula H3NO6S2
MW 177.16
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.09

Activity Summary

Ki 8 meas.

Literature References

PubMed DOI Target Context # Activities
27283786 10.1016/j.bmc.2016.05.029 Unchecked 4
26853167 10.1016/j.bmcl.2016.01.072 Unchecked 2
26853167 10.1016/j.bmcl.2016.01.072 Carbonic anhydrase 2 1
26853167 10.1016/j.bmcl.2016.01.072 Carbonic anhydrase 1 1
27283786 10.1016/j.bmc.2016.05.029 Carbonic anhydrase 2 1
27283786 10.1016/j.bmc.2016.05.029 Carbonic anhydrase 1 1

Data from ChEMBL 36 via Core Engine