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Literature summary for 3.2.1.45 extracted from

  • Zheng, J.; Jeon, S.; Jiang, W.; Burbulla, L.F.; Ysselstein, D.; Oevel, K.; Krainc, D.; Silverman, R.B.
    Conversion of quinazoline modulators from inhibitors to activators of beta-glucocerebrosidase (2019), J. Med. Chem., 62, 1218-1230 .
    View publication on PubMedView publication on EuropePMC

Activating Compound

Activating Compound Comment Organism Structure
(R)-4-(3-phenoxypiperidin-1-yl)-2-(pyridin-3-yl)quinazoline 50% activation at 0.00365 mM Homo sapiens
(R)-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00237 mM Homo sapiens
(S)-4-(3-phenoxypiperidin-1-yl)-2-(pyridin-3-yl)quinazoline 50% activation at 0.00475 mM Homo sapiens
(S)-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00149 mM Homo sapiens
2-(2-(pyridin-3-yl)quinazolin-4-yl)-2,3,4,9-tetrahydro-1H-pyrido-[3,4-b]indole 50% activation at 0.00427 mM Homo sapiens
2-(furan-2-yl)-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine 50% activation at 0.02173 mM Homo sapiens
2-(furan-3-yl)-N-methyl-N-(2-phenoxyethyl)quinazolin-4-amine 50% activation at 0.00168 mM Homo sapiens
4-(2-(pyridin-3-yl)quinazolin-4-yl)-1,4-oxazepane 50% activation at 0.04414 mM Homo sapiens
4-(2-(pyridin-3-yl)quinazolin-4-yl)-2,3,4,5-tetrahydrobenzo[f ]-[1,4]oxazepine 50% activation at 0.00974 mM Homo sapiens
4-(2-benzylpiperidin-1-yl)-2-(pyridin-3-yl)quinazoline 50% activation at 0.0047 mM Homo sapiens
4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)quinazoline 50% activation at 0.00223 mM Homo sapiens
4-(3-benzylpiperidin-1-yl)-2-(pyridin-3-yl)quinazoline 50% activation at 0.00518 mM Homo sapiens
4-(3-phenoxypyrrolidin-1-yl)-2-(pyridin-3-yl)quinazoline 50% activation at 0.00117 mM Homo sapiens
4-(3-phenylpiperidin-1-yl)-2-(pyridin-3-yl)quinazoline 50% activation at 0.00466 mM Homo sapiens
additional information not activated by N-(cyclopropylmethyl)-N-(2-phenoxyethyl)-2-(pyridin-3-yl)-quinazolin-4-amine, 2-(2-(pyridin-3-yl)quinazolin-4-yl)-2,3,4,5-tetrahydro-1H-pyrido-[4,3-b]indole, N-methyl-N-(2-phenoxyethyl)-2-phenylquinazolin-4-amine, N-methyl-N-(2-phenoxyethyl)-2-(thiophen-3-yl)quinazolin-4-amine, and N-methyl-N-(2-phenoxyethyl)-2-(thiophen-2-yl)quinazolin-4-amine Homo sapiens
N-((1H-benzo[d]imidazol-2-yl)methyl)-N-methyl-2-(pyridin-3-yl)-quinazolin-4-amine 50% activation at 0.00792 mM Homo sapiens
N-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00488 mM Homo sapiens
N-(2-(benzyloxy)ethyl)-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.01687 mM Homo sapiens
N-(2-phenoxyethyl)-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00156 mM Homo sapiens
N-(2-phenoxyethyl)-N-propyl-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00318 mM Homo sapiens
N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide NCGC00188758 Homo sapiens
N-(benzo[c][1,2,5]thiadiazol-5-ylmethyl)-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00184 mM Homo sapiens
N-(benzo[d]oxazol-2-ylmethyl)-N-methyl-2-(pyridin-3-yl)-quinazolin-4-amine 50% activation at 0.01607 mM Homo sapiens
N-(benzo[d]thiazol-2-ylmethyl)-N-methyl-2-(pyridin-3-yl)-quinazolin-4-amine 50% activation at 0.0069 mM Homo sapiens
N-(benzo[d][1,3]dioxol-5-ylmethyl)-N-methyl-2-(pyridin-3-yl)-quinazolin-4-amine 50% activation at 0.00163 mM Homo sapiens
N-cyclohexyl-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00236 mM Homo sapiens
N-cyclopentyl-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00636 mM Homo sapiens
N-ethyl-N-(2-phenoxyethyl)-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00538 mM Homo sapiens
N-methyl-2-(pyridin-3-yl)-N-(quinoxalin-2-ylmethyl)quinazolin-4-amine 50% activation at 0.00163 mM Homo sapiens
N-methyl-N-((2-methylisoindolin-5-yl)methyl)-2-(pyridin-3-yl)-quinazolin-4-amine 50% activation at 0.01491 mM Homo sapiens
N-methyl-N-(1-phenoxypropan-2-yl)-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00752 mM Homo sapiens
N-methyl-N-(2-phenoxyethyl)-2-(pyridin-2-yl)quinazolin-4-amine 50% activation at above 0.05 mM Homo sapiens
N-methyl-N-(2-phenoxyethyl)-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00355 mM Homo sapiens
N-methyl-N-(2-phenoxyethyl)-2-(pyridin-4-yl)quinazolin-4-amine 50% activation at 0.00289 mM Homo sapiens
N-methyl-N-(2-phenoxyethyl)-2-(pyrimidin-5-yl)quinazolin-4-amine 50% activation at 0.00089 mM Homo sapiens
N-methyl-N-(2-phenoxypropyl)-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00897 mM Homo sapiens
N-methyl-N-(3-phenoxypropyl)-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00616 mM Homo sapiens
N-methyl-N-(3-phenylpropyl)-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00501 mM Homo sapiens
N-methyl-N-(4-phenylbutyl)-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00399 mM Homo sapiens
N-methyl-N-(naphthalen-2-ylmethyl)-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.0038 mM Homo sapiens
N-methyl-N-phenethyl-2-(pyridin-3-yl)quinazolin-4-amine 50% activation at 0.00139 mM Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(R)-N-methyl-2-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinazolin-4-amine
-
Homo sapiens
(S)-N-methyl-2-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinazolin-4-amine
-
Homo sapiens
2-(pyridin-3-yl)-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinazolin-4-amine
-
Homo sapiens
2-(pyridin-3-yl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]quinazolin-4-amine
-
Homo sapiens
N-(1-phenoxypropan-2-yl)-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-(2,3-dihydro-1H-inden-2-yl)-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-(2,3-dihydro-1H-inden-2-yl)-2-(thiophen-3-yl)quinazolin-4-amine
-
Homo sapiens
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyridin-3-yl)-quinazolin-4-amine
-
Homo sapiens
N-(2-(benzyloxy)ethyl)-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-(2-phenoxypropyl)-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-(2-phenylethyl)-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-(3-phenoxypropyl)-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-(3-phenylpropyl)-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-(4-phenylbutyl)-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-cycloheptyl-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-cycloheptyl-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-cyclohexyl-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-cyclooctyl-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-cyclooctyl-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens
N-cyclopentyl-2-(pyridin-3-yl)quinazolin-4-amine
-
Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
lysosome
-
Homo sapiens 5764
-

Organism

Organism UniProt Comment Textmining
Homo sapiens P04062
-
-

Source Tissue

Source Tissue Comment Organism Textmining
fibroblast
-
Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4-methylumbelliferyl beta-D-glucopyranoside + H2O
-
Homo sapiens 4-methylumbelliferone + beta-D-glucopyranose
-
?
5-(pentafluorobenzoylamino)-fluorescein di-beta-D-glucopyranoside + H2O
-
Homo sapiens 5-(pentafluorobenzoylamino)-fluorescein + 2 beta-D-glucopyranose
-
?

Synonyms

Synonyms Comment Organism
beta-glucocerebrosidase
-
Homo sapiens
GBA1
-
Homo sapiens
Gcase
-
Homo sapiens
velaglucerase alfa commercial preparation Homo sapiens
Vpriv commercial preparation Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000083
-
at pH 5.0 and 25°C Homo sapiens N-(2,3-dihydro-1H-inden-2-yl)-2-(pyridin-3-yl)quinazolin-4-amine
0.0000087
-
at pH 5.0 and 25°C Homo sapiens 2-(pyridin-3-yl)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]quinazolin-4-amine
0.0000099
-
at pH 5.0 and 25°C Homo sapiens 2-(pyridin-3-yl)-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinazolin-4-amine
0.000027
-
at pH 5.0 and 25°C Homo sapiens N-cyclooctyl-2-(pyridin-3-yl)quinazolin-4-amine
0.000042
-
at pH 5.0 and 25°C Homo sapiens N-cycloheptyl-2-(pyridin-3-yl)quinazolin-4-amine
0.000177
-
at pH 5.0 and 25°C Homo sapiens N-cyclohexyl-2-(pyridin-3-yl)quinazolin-4-amine
0.00043
-
at pH 5.0 and 25°C Homo sapiens (S)-N-methyl-2-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinazolin-4-amine
0.00072
-
at pH 5.0 and 25°C Homo sapiens N-cyclopentyl-2-(pyridin-3-yl)quinazolin-4-amine
0.00097
-
at pH 5.0 and 25°C Homo sapiens N-(2-phenylethyl)-2-(pyridin-3-yl)quinazolin-4-amine
0.00128
-
at pH 5.0 and 25°C Homo sapiens N-(4-phenylbutyl)-2-(pyridin-3-yl)quinazolin-4-amine
0.00178
-
at pH 5.0 and 25°C Homo sapiens N-(3-phenylpropyl)-2-(pyridin-3-yl)quinazolin-4-amine
0.00188
-
at pH 5.0 and 25°C Homo sapiens N-(1-phenoxypropan-2-yl)-2-(pyridin-3-yl)quinazolin-4-amine
0.00214
-
at pH 5.0 and 25°C Homo sapiens N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(pyridin-3-yl)-quinazolin-4-amine
0.00254
-
at pH 5.0 and 25°C Homo sapiens N-(3-phenoxypropyl)-2-(pyridin-3-yl)quinazolin-4-amine
0.00424
-
at pH 5.0 and 25°C Homo sapiens N-(2-phenoxypropyl)-2-(pyridin-3-yl)quinazolin-4-amine
0.00587
-
at pH 5.0 and 25°C Homo sapiens (R)-N-methyl-2-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinazolin-4-amine
0.0073
-
at pH 5.0 and 25°C Homo sapiens N-(2-(benzyloxy)ethyl)-2-(pyridin-3-yl)quinazolin-4-amine
0.00838
-
at pH 5.0 and 25°C Homo sapiens N-cyclooctyl-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine
0.00994
-
at pH 5.0 and 25°C Homo sapiens N-cycloheptyl-N-methyl-2-(pyridin-3-yl)quinazolin-4-amine