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Compound Detail

CHEMBL370790

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N=C(N)NS(=O)(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL370790
Phase Preclinical
Structure Type MOL
InChI Key LXRFPFHAOYHABY-AWQFTUOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
1.72
ALogP
6
HBA
3
HBD
138.6
PSA (Ų)
0.47
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 C17H14N4O4S
MW 370.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 1 1
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 2 1
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 9 1
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 12 1

Data from ChEMBL 36 via Core Engine