Structure

InChI Key TYMRLRRVMHJFTF-UHFFFAOYSA-N
Smile NCc1ccc(S(N)(=O)=O)cc1
InChI
InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O2S
Molecular Weight 186.24
AlogP -0.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 86.18
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 27600 - 170-17100 -
Enzyme
- 27600 - 170-17100 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Cross References

Resources Reference
ChEBI 6633
ChEMBL CHEMBL419
DrugBank DB06795
DrugCentral 1624
EPA CompTox DTXSID6047860
FDA SRS 58447S8P4L
KEGG C07106
PDB 6LH
PubChem 3998
SureChEMBL SCHEMBL41628
ZINC ZINC000000001644