P-TOLUENESULFONAMIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I8266RI90M

Structure
InChI Key LMYRWZFENFIFIT-UHFFFAOYSA-N
Smile Cc1ccc(S(N)(=O)=O)cc1
InChI
InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9NO2S
Molecular Weight 171.22
AlogP 0.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 60.16
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 4700 0-430 320-8138 -
Enzyme Oxidoreductase
- - - - 25
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M34 family
- - - - 6
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- - - - 11
Enzyme
- 4700 0-430 320-8138 11

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEBI 34435
ChEMBL CHEMBL574
EPA CompTox DTXSID8029105
FDA SRS I8266RI90M
KEGG C14412
PDB 4J8
PubChem 6269
SureChEMBL SCHEMBL7370
ZINC ZINC000000388056
CONTENTS