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Literature summary for 4.1.1.9 extracted from

  • Jagdale, D.; Ramaa, C.
    Design, synthesis and in vitro evaluation of some small molecules malonyl CoA decarboxylase inhibitors containing pyrazoline scaffold and study of their binding interactions with malonyl CoA decarboxylase via preliminary docking simulation (2017), Med. Chem. Res., 26, 2127-2140 .
No PubMed abstract available
Search for more literature for 4.1.1.9

Inhibitors

Inhibitors Comment Organism Structure
1-[3-(4-hydroxyphenyl)-5-(thiophen-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
-
 Homo sapiens
1-[5-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
-
 Homo sapiens
1-[5-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
-
 Homo sapiens
1-[5-(2,4-difluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
-
 Homo sapiens
1-[5-(2,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-l]ethanone
-
 Homo sapiens
1-[5-(3,4-dibromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
-
 Homo sapiens
1-[5-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
-
 Homo sapiens
1-[5-(4-chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
-
 Homo sapiens
1-[5-(4-hydroxyphenyl)-3-(thiophen-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
-
 Homo sapiens
1-[5-(furan-3-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
-
 Homo sapiens
2-[3-(4-hydroxyphenyl)-5-(4-methoxy-2-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[3-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[3-(4-hydroxyphenyl)-5-(thiophen-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[3-(4-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[5-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[5-(2,4-dinitrophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[5-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[5-(3,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[5-(4-bromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[5-(4-nitrophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[5-(furan-3-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[5-(furan-3-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens
2-[5-(pyridin-2-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
mitochondrion
-
 Homo sapiens 5739
-

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
Malonyl-CoA Homo sapiens
-
 Acetyl-CoA + CO2
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens O95822
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Malonyl-CoA
-
 Homo sapiens Acetyl-CoA + CO2
-
 ?

Synonyms

Synonyms Comment Organism
malonyl CoA decarboxylase
-
 Homo sapiens
MCD
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0001
-
 at pH 8.0 and 30°C Homo sapiens 2-[5-(furan-3-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00026
-
 at pH 8.0 and 30°C Homo sapiens 1-[5-(3,4-dibromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
0.00027
-
 at pH 8.0 and 30°C Homo sapiens 2-[5-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00152
-
 at pH 8.0 and 30°C Homo sapiens 2-[5-(4-bromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.0016
-
 at pH 8.0 and 30°C Homo sapiens 2-[3-(4-hydroxyphenyl)-5-(thiophen-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00192
-
 at pH 8.0 and 30°C Homo sapiens 2-[5-(4-nitrophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00203
-
 at pH 8.0 and 30°C Homo sapiens 2-[3-(4-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00204
-
 at pH 8.0 and 30°C Homo sapiens 2-[5-(2,4-dinitrophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00223
-
 at pH 8.0 and 30°C Homo sapiens 2-[5-(furan-3-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00225
-
 at pH 8.0 and 30°C Homo sapiens 2-[3-(4-hydroxyphenyl)-5-(4-methoxy-2-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00234
-
 at pH 8.0 and 30°C Homo sapiens 2-[5-(pyridin-2-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00308
-
 at pH 8.0 and 30°C Homo sapiens 2-[5-(3,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00347
-
 at pH 8.0 and 30°C Homo sapiens 1-[5-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
0.00355
-
 at pH 8.0 and 30°C Homo sapiens 2-[3-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00365
-
 at pH 8.0 and 30°C Homo sapiens 1-[5-(2,4-difluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
0.00442
-
 at pH 8.0 and 30°C Homo sapiens 1-[5-(4-chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
0.0059
-
 at pH 8.0 and 30°C Homo sapiens 1-[5-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
0.00633
-
 at pH 8.0 and 30°C Homo sapiens 1-[3-(4-hydroxyphenyl)-5-(thiophen-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
0.00658
-
 at pH 8.0 and 30°C Homo sapiens 1-[5-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
0.00697
-
 at pH 8.0 and 30°C Homo sapiens 1-[5-(furan-3-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
0.00765
-
 at pH 8.0 and 30°C Homo sapiens 2-[5-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one
0.00768
-
 at pH 8.0 and 30°C Homo sapiens 1-[5-(2,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-l]ethanone
0.05
-
 IC50 above 0.05 mM, at pH 8.0 and 30°C Homo sapiens 1-[5-(4-hydroxyphenyl)-3-(thiophen-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone