Detailed information for compound 1392256

Basic information

Technical information
  • TDR Targets ID: 1392256
  • Name: 3-(2-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidi n-1-yl)propyl]-2-sulfanylidene-1H-quinazoline -7-carboxamide
  • MW: 440.491 | Formula: C22H21FN4O3S
  • H donors: 2 H acceptors: 3 LogP: 2.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCN1CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(c2=O)c1ccccc1F
  • InChi: 1S/C22H21FN4O3S/c23-16-5-1-2-6-18(16)27-21(30)15-9-8-14(13-17(15)25-22(27)31)20(29)24-10-4-12-26-11-3-7-19(26)28/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,24,29)(H,25,31)
  • InChiKey: WWKYMVNWQOSIRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide
  • 3-(2-fluorophenyl)-4-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide
  • 3-(2-fluorophenyl)-4-keto-N-[3-(2-ketopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide
  • EU-0087035
  • 3-(2-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
  • MLS000729460
  • SMR000307738

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0092 0.0202
Plasmodium falciparum phd finger protein, putative 0.0029 0.0092 0.0202
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0734 0.1117
Brugia malayi chromobox protein homolog 3 0.0038 0.0238 0.0381
Trypanosoma brucei hypothetical protein, conserved 0.0631 1 1
Giardia lamblia Kinase, PLK 0.028 0.4222 0.6704
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0142 0.5
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0073 0.0804 0.1646
Schistosoma mansoni chromatin regulatory protein sir2 0.0183 0.2627 0.4165
Loa Loa (eye worm) hypothetical protein 0.0327 0.5002 0.7988
Plasmodium vivax hypothetical protein, conserved 0.0114 0.1493 0.5614
Toxoplasma gondii NADPH-glutathione reductase 0.0032 0.0142 0.0394
Schistosoma mansoni chromatin regulatory protein sir2 0.0327 0.5002 0.7988
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0073 0.0804 0.0766
Giardia lamblia NADH oxidase lateral transfer candidate 0.0032 0.0142 0.0081
Loa Loa (eye worm) hypothetical protein 0.0029 0.0092 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0621 0.0935
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0114 0.1493 0.2338
Entamoeba histolytica serine/threonine protein kinase, putative 0.028 0.4222 0.6732
Trichomonas vaginalis mercuric reductase, putative 0.0032 0.0142 0.0164
Echinococcus granulosus citrate lyase subunit beta protein 0.0073 0.0804 0.1229
Schistosoma mansoni kinase 0.0142 0.1952 0.3078
Plasmodium vivax glutathione reductase, putative 0.0094 0.1152 0.4297
Echinococcus granulosus chromobox protein 1 0.0068 0.0734 0.1117
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0183 0.2627 0.2597
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0214 0.3131 0.8837
Loa Loa (eye worm) hypothetical protein 0.0038 0.0238 0.0319
Mycobacterium ulcerans NAD-dependent deacetylase 0.0183 0.2627 0.6182
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0327 0.5002 0.7988
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0142 0.0102
Schistosoma mansoni chromatin regulatory protein sir2 0.0403 0.6251 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0142 0.0102
Plasmodium falciparum glutathione reductase 0.0032 0.0142 0.0394
Mycobacterium tuberculosis Probable oxidoreductase 0.0238 0.3525 1
Echinococcus granulosus chromobox protein 1 0.0068 0.0734 0.1117
Brugia malayi Heterochromatin protein 1 0.0068 0.0734 0.1174
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0175 0.0279
Brugia malayi Bromodomain containing protein 0.0029 0.0092 0.0148
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0142 0.5
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0327 0.5002 0.7971
Trichomonas vaginalis glutathione reductase, putative 0.0032 0.0142 0.0164
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.028 0.4222 0.6732
Schistosoma mansoni chromobox protein 0.0068 0.0734 0.1117
Trypanosoma cruzi hypothetical protein, conserved 0.0631 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0437 0.07
Echinococcus granulosus chromatin regulatory protein sir2 0.0403 0.6251 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0403 0.6251 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0114 0.1493 0.2338
Brugia malayi PHD-finger family protein 0.0029 0.0092 0.0148
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.028 0.4222 0.4198
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0621 0.0935
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0032 0.0142 0.0102
Loa Loa (eye worm) transcriptional regulator 0.0114 0.1493 0.2338
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0286 0.0396
Echinococcus granulosus serine:threonine protein kinase PLK1 0.028 0.4222 0.6732
Echinococcus granulosus thioredoxin glutathione reductase 0.0094 0.1152 0.179
Schistosoma mansoni chromobox protein 0.0068 0.0734 0.1117
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0114 0.1493 0.2338
Toxoplasma gondii histone deacetylase SIR2-like 0.0114 0.1493 0.5614
Plasmodium vivax NAD-dependent deacetylase, putative 0.0183 0.2627 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0437 0.0639
Plasmodium falciparum thioredoxin reductase 0.0094 0.1152 0.4297
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0073 0.0804 0.1646
Brugia malayi glutaminase DH11.1 0.0276 0.4162 0.6657
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0437 0.0639
Schistosoma mansoni chromatin regulatory protein sir2 0.0403 0.6251 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0621 0.0935
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0327 0.5002 0.7988
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0286 0.0589
Treponema pallidum NADH oxidase 0.0032 0.0142 0.5
Giardia lamblia Transcriptional regulator, Sir2 family 0.0183 0.2627 0.4115
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0403 0.6251 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.044 0.0643
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0327 0.5002 0.7988
Loa Loa (eye worm) hypothetical protein 0.003 0.0102 0.0099
Brugia malayi Cathepsin L-like precursor 0.0026 0.004 0.0064
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0183 0.2627 0.4165
Loa Loa (eye worm) transcriptional regulator 0.0114 0.1493 0.2338
Echinococcus multilocularis chromobox protein 1 0.0068 0.0734 0.1117
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.061 0.0917
Onchocerca volvulus 0.003 0.0102 0.0148
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0142 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0054 0.0022
Trypanosoma brucei SIR2-like protein 4, putative 0.0114 0.1493 0.1458
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0195 0.0249
Mycobacterium tuberculosis Probable reductase 0.0214 0.3131 0.8837
Brugia malayi Cathepsin L-like precursor 0.0026 0.004 0.0064
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0142 0.0102
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0032 0.0142 0.5
Echinococcus multilocularis citrate lyase subunit beta protein 0.0073 0.0804 0.1229
Trypanosoma cruzi polo-like protein kinase, putative 0.028 0.4222 0.4198
Trypanosoma brucei polo-like protein kinase 0.028 0.4222 0.4198
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0403 0.6251 0.6236
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0142 0.0102
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0114 0.1493 0.2338
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0183 0.2627 0.2597
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0092 0.0202
Loa Loa (eye worm) transcriptional regulator 0.0403 0.6251 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.0142 0.0227
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0054 0.0022
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0238 0.3525 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0214 0.3131 0.8837
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0195 0.0249
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0183 0.2627 0.4165
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0142 0.0102
Trypanosoma cruzi polo-like protein kinase, putative 0.028 0.4222 0.4198
Onchocerca volvulus Serine\/threonine kinase homolog 0.028 0.4222 1
Toxoplasma gondii histone deacetylase SIR2 0.0183 0.2627 1
Loa Loa (eye worm) sirtuin 4 0.0114 0.1493 0.2338
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0114 0.1493 0.2338
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.028 0.4222 0.6732
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0183 0.2627 0.4165
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0114 0.1493 0.2338
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0327 0.5002 0.7988
Brugia malayi Thioredoxin reductase 0.0094 0.1152 0.1843
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0437 0.07
Giardia lamblia Hypothetical protein 0.0403 0.6251 1
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0734 0.1117
Loa Loa (eye worm) RNA binding protein 0.0062 0.0621 0.0935
Trichomonas vaginalis CAMK family protein kinase 0.028 0.4222 0.6732
Brugia malayi jmjC domain containing protein 0.0036 0.0195 0.0311
Plasmodium falciparum thioredoxin reductase 0.0032 0.0142 0.0394
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0032 0.0142 0.0164
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0214 0.3131 0.8587
Loa Loa (eye worm) hypothetical protein 0.0034 0.0175 0.0216
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.004 0.0064
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0094 0.1152 0.2985
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0142 0.0102
Brugia malayi transcriptional regulator, Sir2 family protein 0.0403 0.6251 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0214 0.3131 0.8837
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0734 0.1117
Trichomonas vaginalis CAMK family protein kinase 0.028 0.4222 0.6732
Mycobacterium ulcerans glutaminase 0.0276 0.4162 1
Brugia malayi TAR-binding protein 0.0062 0.0621 0.0994
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0214 0.3131 0.8837
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0142 0.0102
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0403 0.6251 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0238 0.0474
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0238 0.0319
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.1198 0.1864
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0283 0.039
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0092 0.0202
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0238 0.3525 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0403 0.6251 1
Echinococcus multilocularis expressed protein 0.0366 0.5645 0.9024
Onchocerca volvulus Alhambra homolog 0.0029 0.0092 0.0125
Mycobacterium ulcerans Sir2-like regulatory protein 0.0114 0.1493 0.336
Brugia malayi RNA binding protein 0.0062 0.0621 0.0994
Plasmodium falciparum glutathione reductase 0.0094 0.1152 0.4297
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0403 0.6251 1
Leishmania major sir2-family protein-like protein 0.0114 0.1493 0.1458
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0195 0.0249
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0142 0.0102
Trichomonas vaginalis CAMK family protein kinase 0.028 0.4222 0.6732
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0032 0.0142 0.0102
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0092 0.0084
Brugia malayi NAD-dependent deacetylase SIRT1 0.0327 0.5002 0.8001
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0032 0.0142 0.0102
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0403 0.6251 0.6236
Leishmania major trypanothione reductase 0.0094 0.1152 0.1116
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0286 0.0396
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0621 0.0935
Loa Loa (eye worm) hypothetical protein 0.0213 0.3116 0.4952
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0092 0.0084
Trichomonas vaginalis CAMK family protein kinase 0.028 0.4222 0.6732
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0073 0.0804 0.1229
Brugia malayi jmjC domain containing protein 0.0097 0.1198 0.1916
Giardia lamblia Sirtuin type 2 0.0114 0.1493 0.2273
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0183 0.2627 0.2597
Brugia malayi transcriptional regulator, Sir2 family protein 0.0114 0.1493 0.2388
Trichomonas vaginalis CAMK family protein kinase 0.0139 0.1891 0.298
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0621 0.0935
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0621 0.0935
Toxoplasma gondii thioredoxin reductase 0.0094 0.1152 0.4297
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0238 0.0319
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0403 0.6251 0.6236
Plasmodium vivax thioredoxin reductase, putative 0.0094 0.1152 0.4297
Echinococcus multilocularis peregrin 0.0029 0.0092 0.0084
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0283 0.039
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0073 0.0804 0.1646
Entamoeba histolytica hypothetical protein, conserved 0.0114 0.1493 0.2338
Echinococcus granulosus peregrin 0.0029 0.0092 0.0084
Echinococcus granulosus tar DNA binding protein 0.0062 0.0621 0.0935
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0032 0.0142 0.0394
Brugia malayi Cathepsin L-like precursor 0.0026 0.004 0.0064
Trypanosoma cruzi hypothetical protein, conserved 0.0631 1 1
Loa Loa (eye worm) glutaminase 0.0276 0.4162 0.6636
Mycobacterium tuberculosis Conserved protein 0.0073 0.0804 0.1955
Trichomonas vaginalis CAMK family protein kinase 0.0139 0.1891 0.298
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0621 0.0935
Echinococcus granulosus expressed protein 0.0366 0.5645 0.9024
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0195 0.0249
Schistosoma mansoni hypothetical protein 0.0034 0.0175 0.0216
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0183 0.2627 0.7346
Schistosoma mansoni chromatin regulatory protein sir2 0.0114 0.1493 0.2338
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0032 0.0142 0.0102
Trichomonas vaginalis CAMK family protein kinase 0.028 0.4222 0.6732
Leishmania major silent information regulator 2, putative 0.0403 0.6251 0.6236
Loa Loa (eye worm) glutathione reductase 0.0094 0.1152 0.179
Trichomonas vaginalis CAMK family protein kinase 0.028 0.4222 0.6732
Brugia malayi Cathepsin L-like precursor 0.0026 0.004 0.0064
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0403 0.6251 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0114 0.1493 0.2338
Loa Loa (eye worm) thioredoxin reductase 0.0094 0.1152 0.179
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0032 0.0142 0.0394
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0621 0.0935
Schistosoma mansoni hypothetical protein 0.0029 0.0092 0.0084
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0238 0.3525 1
Mycobacterium ulcerans hypothetical protein 0.0073 0.0804 0.1646
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.1198 0.1864
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0142 0.0102
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0621 0.0994
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0073 0.0804 0.0766
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0073 0.0804 0.0766
Brugia malayi glutathione reductase 0.0094 0.1152 0.1843
Mycobacterium tuberculosis Probable dehydrogenase 0.0214 0.3131 0.8837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0094 0.1152 0.179
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0142 0.0102
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0871 0.1337
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0142 0.0102
Echinococcus multilocularis chromobox protein 1 0.0068 0.0734 0.1117
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0032 0.0142 0.0394
Schistosoma mansoni glutaminase 0.0276 0.4162 0.6636
Mycobacterium ulcerans hypothetical protein 0.0073 0.0804 0.1646
Trypanosoma cruzi trypanothione reductase, putative 0.0094 0.1152 0.1116
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0114 0.1493 0.5614
Trichomonas vaginalis glutaminase, putative 0.0276 0.4162 0.6636
Brugia malayi Cathepsin L-like precursor 0.0026 0.004 0.0064
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0092 0.0084
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0092 0.0084
Brugia malayi Cathepsin L-like precursor 0.0026 0.004 0.0064
Echinococcus multilocularis chromatin regulatory protein sir2 0.0403 0.6251 1
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0183 0.2627 1
Brugia malayi serine/threonine-protein kinase plk-2 0.028 0.4222 0.6753
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0195 0.0249
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0032 0.0142 0.0164
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0032 0.0142 0.0394
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0032 0.0142 0.0164
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0114 0.1493 0.2338
Loa Loa (eye worm) glutaminase 2 0.0276 0.4162 0.6636
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0327 0.5002 0.7988
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0327 0.5002 0.7988
Schistosoma mansoni serine/threonine protein kinase 0.028 0.4222 0.6732
Trypanosoma brucei trypanothione reductase 0.0094 0.1152 0.1116
Brugia malayi transcriptional regulator, Sir2 family protein 0.0114 0.1493 0.2388
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0183 0.2627 0.2597
Trichomonas vaginalis CAMK family protein kinase 0.028 0.4222 0.6732
Trypanosoma cruzi trypanothione reductase, putative 0.0032 0.0142 0.0102
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0183 0.2627 0.4165
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0403 0.6251 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0032 0.0142 0.0394
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0073 0.0804 0.1955

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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