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Literature summary for 3.6.1.9 extracted from

  • Semreen, M.H.; El-Gamal, M.I.; Ullah, S.; Jalil, S.; Zaib, S.; Anbar, H.S.; Lecka, J.; Sevigny, J.; Iqbal, J.
    Synthesis, biological evaluation, and molecular docking study of sulfonate derivatives as nucleotide pyrophosphatase/phosphodiesterase (NPP) inhibitors (2019), Bioorg. Med. Chem., 27, 2741-2752 .
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
4-(4-chlorobenzamido)phenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
-
Homo sapiens
4-(4-chlorobenzamido)phenyl 4-(trifluoromethyl)benzene-1-sulfonate
-
Homo sapiens
4-(4-chlorobenzamido)phenyl 4-fluorobenzene-1-sulfonate 46% inhibition at 0.1 mM Homo sapiens
4-(4-chlorobenzamido)phenyl 4-methylbenzene-1-sulfonate
-
Homo sapiens
4-(4-chlorobenzamido)phenyl 4-tert-butylbenzene-1-sulfonate
-
Homo sapiens
4-(4-chlorobenzamido)phenyl benzenesulfonate
-
Homo sapiens
4-[(cycloheptanecarbonyl)amino]phenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate 29% inhibition at 0.1 mM; 37% inhibition at 0.1 mM Homo sapiens
4-[(cycloheptanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
-
Homo sapiens
4-[(cycloheptanecarbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate 39.3% inhibition at 0.1 mM Homo sapiens
4-[(cycloheptanecarbonyl)amino]phenyl 4-methylbenzene-1-sulfonate
-
Homo sapiens
4-[(cycloheptanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate
-
Homo sapiens
4-[(cycloheptanecarbonyl)amino]phenyl benzenesulfonate
-
Homo sapiens
4-[(cyclohexanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
-
Homo sapiens
4-[(cyclohexanecarbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
-
Homo sapiens
4-[(cyclohexanecarbonyl)amino]phenyl 4-methylbenzene-1-sulfonate 39% inhibition at 0.1 mM+L345; 43% inhibition at 0.1 mM Homo sapiens
4-[(cyclohexanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate
-
Homo sapiens
4-[(cyclohexanecarbonyl)amino]phenyl benzenesulfonate
-
Homo sapiens
4-[(cyclohexanecarbonyl)amino]phenyl ethanesulfonate
-
Homo sapiens
4-[(cyclohexanecarbonyl)amino]phenyl methanesulfonate
-
Homo sapiens
4-[(cyclohexanecarbonyl)amino]phenyl propane-1-sulfonate
-
Homo sapiens
4-[(cyclooctanecarbonyl)amino]phenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate 30% inhibition at 0.1 mM; 30% inhibition at 0.1 mM Homo sapiens
4-[(cyclooctanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate 29% inhibition at 0.1 mM Homo sapiens
4-[(cyclooctanecarbonyl)amino]phenyl 4-methylbenzene-1-sulfonate 35% inhibition at 0.1 mM; 43% inhibition at 0.1 mM Homo sapiens
4-[(cyclooctanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate 40% inhibition at 0.1 mM; 46% inhibition at 0.1 mM Homo sapiens
4-[(cyclooctanecarbonyl)amino]phenyl benzenesulfonate 45% inhibition at 0.1 mM; 47% inhibition at 0.1 mM Homo sapiens
4-[(cyclopentanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
-
Homo sapiens
4-[(cyclopentanecarbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
-
Homo sapiens
4-[(cyclopentanecarbonyl)amino]phenyl 4-methylbenzene-1-sulfonate
-
Homo sapiens
4-[(cyclopentanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate
-
Homo sapiens
4-[(cyclopentanecarbonyl)amino]phenyl benzenesulfonate
-
Homo sapiens
4-[(naphthalene-2-carbonyl)amino]phenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
-
Homo sapiens
4-[(naphthalene-2-carbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
-
Homo sapiens
4-[(naphthalene-2-carbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
-
Homo sapiens
4-[(naphthalene-2-carbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate 49% inhibition at 0.1 mM Homo sapiens
4-[(naphthalene-2-carbonyl)amino]phenyl benzenesulfonate 23% inhibition at 0.1 mM; 24% inhibition at 0.1 mM Homo sapiens
4-[(quinoline-8-carbonyl)amino]phenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate 37% inhibition at 0.1 mM; 42% inhibition at 0.1 mM Homo sapiens
additional information synthesis, biological evaluation, and molecular docking study of sulfonate derivatives as nucleotide pyrophosphatase/phosphodiesterase (NPP) inhibitors, structure-activity relationships, molecular docking study and analysis, overview; synthesis, biological evaluation, and molecular docking study of sulfonate derivatives as nucleotide pyrophosphatase/phosphodiesterase (NPP) inhibitors, structure-activity relationships, molecular docking study and analysis, overview Homo sapiens

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + H2O Homo sapiens
-
ADP + phosphate
-
?

Organism

Organism UniProt Comment Textmining
Homo sapiens O14638
-
-
Homo sapiens P22413
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + H2O
-
Homo sapiens ADP + phosphate
-
?

Synonyms

Synonyms Comment Organism
CD203c
-
Homo sapiens
ENPP1
-
Homo sapiens
ENPP3
-
Homo sapiens
h-NPP1
-
Homo sapiens
h-NPP3
-
Homo sapiens
NPP
-
Homo sapiens
NPP1
-
Homo sapiens
NPP3
-
Homo sapiens
nucleotide pyrophosphatase/phosphodiesterase
-
Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
9.5
-
assay at Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000214
-
pH 9.5, 37°C, NPP26 Homo sapiens 4-[(cyclooctanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.000254
-
pH 9.5, 37°C, NPP14 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
0.000255
-
pH 9.5, 37°C, NPP17 Homo sapiens 4-[(cycloheptanecarbonyl)amino]phenyl 4-methylbenzene-1-sulfonate
0.000369
-
pH 9.5, 37°C, NPP9 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl ethanesulfonate
0.000387
-
pH 9.5, 37°C, NPP13 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.000422
-
pH 9.5, 37°C, NPP15 Homo sapiens 4-[(cycloheptanecarbonyl)amino]phenyl 4-methylbenzene-1-sulfonate
0.000431
-
pH 9.5, 37°C, NPP19 Homo sapiens 4-[(cycloheptanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.000564
-
pH 9.5, 37°C, NPP12 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
0.000807
-
pH 9.5, 37°C, NPP13 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate
0.000856
-
pH 9.5, 37°C, NPP4 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl 4-methylbenzene-1-sulfonate
0.000975
-
pH 9.5, 37°C, NPP28 Homo sapiens 4-(4-chlorobenzamido)phenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
0.001014
-
pH 9.5, 37°C, NPP6 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
0.001079
-
pH 9.5, 37°C, NPP11 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl benzenesulfonate
0.001118
-
pH 9.5, 37°C, NPP36 Homo sapiens 4-[(naphthalene-2-carbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.001134
-
pH 9.5, 37°C, NPP5 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.001203
-
pH 9.5, 37°C, NPP30 Homo sapiens 4-(4-chlorobenzamido)phenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
0.001354
-
pH 9.5, 37°C, NPP8 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl methanesulfonate
0.001437
-
pH 9.5, 37°C, NPP26 Homo sapiens 4-(4-chlorobenzamido)phenyl 4-methylbenzene-1-sulfonate
0.001487
-
pH 9.5, 37°C, NPP35 Homo sapiens 4-[(naphthalene-2-carbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
0.001493
-
pH 9.5, 37°C, NPP16 Homo sapiens 4-[(cycloheptanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate
0.001525
-
pH 9.5, 37°C, NPP29 Homo sapiens 4-(4-chlorobenzamido)phenyl 4-tert-butylbenzene-1-sulfonate
0.001624
-
pH 9.5, 37°C, NPP28 Homo sapiens 4-(4-chlorobenzamido)phenyl 4-methylbenzene-1-sulfonate
0.001629
-
pH 9.5, 37°C, NPP7 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl ethanesulfonate
0.001648
-
pH 9.5, 37°C, NPP3 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate
0.001724
-
pH 9.5, 37°C, NPP3 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl benzenesulfonate
0.00179
-
pH 9.5, 37°C, NPP15 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.001799
-
pH 9.5, 37°C, NPP27 Homo sapiens 4-(4-chlorobenzamido)phenyl 4-tert-butylbenzene-1-sulfonate
0.001918
-
pH 9.5, 37°C, NPP6 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl methanesulfonate
0.002195
-
pH 9.5, 37°C, NPP33 Homo sapiens 4-[(naphthalene-2-carbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate
0.002267
-
pH 9.5, 37°C, NPP20 Homo sapiens 4-[(cycloheptanecarbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
0.002409
-
pH 9.5, 37°C, NPP10 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl propane-1-sulfonate
0.00255
-
pH 9.5, 37°C, NPP11 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate
0.002578
-
pH 9.5, 37°C, NPP21 Homo sapiens 4-[(cycloheptanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.002675
-
pH 9.5, 37°C, NPP5 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate
0.002772
-
pH 9.5, 37°C, NPP27 Homo sapiens 4-(4-chlorobenzamido)phenyl benzenesulfonate
0.002892
-
pH 9.5, 37°C, NPP36 Homo sapiens 4-[(naphthalene-2-carbonyl)amino]phenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
0.002897
-
pH 9.5, 37°C, NPP29 Homo sapiens 4-(4-chlorobenzamido)phenyl 4-fluorobenzene-1-sulfonate
0.003424
-
pH 9.5, 37°C, NPP32 Homo sapiens 4-(4-chlorobenzamido)phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.003429
-
pH 9.5, 37°C, NPP34 Homo sapiens 4-[(naphthalene-2-carbonyl)amino]phenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
0.003461
-
pH 9.5, 37°C, NPP8 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl propane-1-sulfonate
0.003963
-
pH 9.5, 37°C, NPP7 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.005426
-
pH 9.5, 37°C, NPP38 Homo sapiens 4-[(naphthalene-2-carbonyl)amino]phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.00576
-
pH 9.5, 37°C, NPP4 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
0.006602
-
pH 9.5, 37°C, NPP16 Homo sapiens 4-[(cycloheptanecarbonyl)amino]phenyl benzenesulfonate
0.008137
-
pH 9.5, 37°C, NPP2 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl 4-methylbenzene-1-sulfonate
0.009296
-
pH 9.5, 37°C, NPP31 Homo sapiens 4-[(naphthalene-2-carbonyl)amino]phenyl benzenesulfonate
0.009614
-
pH 9.5, 37°C, NPP25 Homo sapiens 4-(4-chlorobenzamido)phenyl benzenesulfonate
0.01185
-
pH 9.5, 37°C, NPP9 Homo sapiens 4-[(cyclohexanecarbonyl)amino]phenyl benzenesulfonate
0.01352
-
pH 9.5, 37°C, NPP37 Homo sapiens 4-[(naphthalene-2-carbonyl)amino]phenyl 4-fluorobenzene-1-sulfonate
0.01384
-
pH 9.5, 37°C, NPP14 Homo sapiens 4-[(cycloheptanecarbonyl)amino]phenyl benzenesulfonate
0.02051
-
pH 9.5, 37°C, NPP33 Homo sapiens 4-[(naphthalene-2-carbonyl)amino]phenyl benzenesulfonate
0.02157
-
pH 9.5, 37°C, NPP30 Homo sapiens 4-(4-chlorobenzamido)phenyl 4-(trifluoromethyl)benzene-1-sulfonate
0.04667
-
pH 9.5, 37°C, NPP1 Homo sapiens 4-[(cyclopentanecarbonyl)amino]phenyl benzenesulfonate
0.04701
-
pH 9.5, 37°C, NPP18 Homo sapiens 4-[(cycloheptanecarbonyl)amino]phenyl 4-tert-butylbenzene-1-sulfonate