Detailed information for compound 869654

Basic information

Technical information
  • TDR Targets ID: 869654
  • Name: N-butyl-3-(7-fluoro-4-oxopyrrolo[2,1-c]quinox alin-5-yl)propanamide
  • MW: 329.369 | Formula: C18H20FN3O2
  • H donors: 1 H acceptors: 2 LogP: 2.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=O)CCn1c(=O)c2cccn2c2c1cc(F)cc2
  • InChi: 1S/C18H20FN3O2/c1-2-3-9-20-17(23)8-11-22-16-12-13(19)6-7-14(16)21-10-4-5-15(21)18(22)24/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,20,23)
  • InChiKey: BUAPTABIXZUQMS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-3-(7-fluoro-4-oxo-pyrrolo[2,1-c]quinoxalin-5-yl)propanamide
  • N-butyl-3-(7-fluoro-4-oxo-5-pyrrolo[2,1-c]quinoxalinyl)propanamide
  • N-butyl-3-(7-fluoro-4-keto-pyrrolo[2,1-c]quinoxalin-5-yl)propionamide
  • E228-2484
  • NCGC00121348-01

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
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.1762 0.8755
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0038 0.0166
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0132 0.0633
Toxoplasma gondii proteasome beta subunit 0.0005 0.0004 0.0086
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0247 0.4727
Trypanosoma brucei polo-like protein kinase 0.0091 0.1094 0.4295
Entamoeba histolytica hypothetical protein 0.0035 0.0378 0.3459
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0038 0.0166
Brugia malayi RNA binding protein 0.0061 0.0713 0.2462
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0498 0.2475
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0139 0.262
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0005 0.0004 0.0041
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0139 0.0529
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0038 0.0116
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0474 0.4314
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0713 0.3532
Echinococcus granulosus smad 0.0008 0.0038 0.0166
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0247 0.0955
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0517 0.178
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1258 0.1254
Entamoeba histolytica proteasome subunit beta type 3, putative 0.0005 0.0004 0.0041
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.051 0.4643
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0238 0.0234
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0132 0.0633
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0059 0.115
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.1094 0.4295
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0005 0.0004 0.0041
Toxoplasma gondii heat shock protein hslv, putative 0.0005 0.0004 0.0086
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0132 0.0501
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0772 0.2667
Entamoeba histolytica proteasome subunit alpha type 6, putative 0.0005 0.0004 0.0041
Plasmodium falciparum thioredoxin reductase 0.0016 0.0139 0.262
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0474 0.9181
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1405 0.1401
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1258 0.1254
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0139 0.1232
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0517 0.0513
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0139 0.0529
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0713 0.3546
Entamoeba histolytica proteasome subunit beta Type 4 precursor, putative 0.0005 0.0004 0.0041
Mycobacterium ulcerans hypothetical protein 0.0024 0.0238 0.0234
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0005 0.0004 0.0086
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.2541 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0139 0.0529
Loa Loa (eye worm) glutathione reductase 0.0046 0.0517 0.178
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0474 0.9174
Loa Loa (eye worm) RNA binding protein 0.0061 0.0713 0.2462
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0059 0.0274
Leishmania major hypothetical protein, conserved 0.0206 0.2541 1
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.051 0.4643
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0132 0.0501
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0005 0.0004 0.0041
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1258 0.1254
Loa Loa (eye worm) hypothetical protein 0.0096 0.1158 0.4008
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.1762 0.6105
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0005 0.0004 0.0041
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0059 0.0274
Entamoeba histolytica calcium-dependent protein kinase 2, putative 0.0006 0.0008 0.0075
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0137 0.2583
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.1094 0.5439
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0139 0.0134
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0005 0.0004 0.0022
Brugia malayi glutathione reductase 0.0046 0.0517 0.178
Entamoeba histolytica proteasome subunit alpha type 2-A, putative 0.0005 0.0004 0.0041
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0077 0.0359
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0132 0.0441
Giardia lamblia Kinase, PLK 0.0091 0.1094 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0005 0.0004 0.0086
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.003 0.0324 0.1593
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1094 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0005 0.0004 0.0041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0498 0.2475
Loa Loa (eye worm) hypothetical protein 0.0024 0.0247 0.0841
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0232 0.2088
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0059 0.0191
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0005 0.0004 0.0022
Echinococcus granulosus Smad4 0.0008 0.0038 0.0166
Schistosoma mansoni DNA helicase recq1 0.001 0.0059 0.0296
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0038 0.0116
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0238 0.1163
Echinococcus multilocularis Smad4 0.0008 0.0038 0.0166
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0132 0.0633
Trypanosoma brucei hypothetical protein, conserved 0.0206 0.2541 1
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0095 0.0869
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0005 0.0004 0.0041
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0005 0.0004 0.0022
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0139 0.0529
Plasmodium falciparum thioredoxin reductase 0.0046 0.0517 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0139 0.0669
Mycobacterium tuberculosis Conserved protein 0.0024 0.0238 0.0234
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0713 0.2462
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0005 0.0004 0.0022
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0096 0.1158 0.4008
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0005 0.0004 0.0022
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0378 0.1881
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0132 0.248
Brugia malayi Latrophilin receptor protein 2 0.003 0.0324 0.1111
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.1094 0.4295
Echinococcus granulosus geminin 0.0164 0.2011 1
Brugia malayi MH2 domain containing protein 0.0008 0.0038 0.0116
Schistosoma mansoni hypothetical protein 0.0011 0.0077 0.038
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0005 0.0004 0.0022
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0059 0.1073
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0005 0.0004 0.0022
Schistosoma mansoni smad1 5 8 and 0.0008 0.0038 0.0188
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0059 0.0274
Entamoeba histolytica proteasome subunit beta type 6 precursor, putative 0.0005 0.0004 0.0041
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1094 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0713 0.3546
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0713 0.3546
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0498 0.1714
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1258 0.1254
Schistosoma mansoni kinase 0.0046 0.0526 0.2613
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0038 0.0166
Toxoplasma gondii thioredoxin reductase 0.0046 0.0517 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0139 0.0689
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0005 0.0004 0.0022
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0238 0.1163
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0139 0.0529
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.171 0.85
Trypanosoma brucei trypanothione reductase 0.0046 0.0517 0.202
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0139 0.0529
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.017 0.0846
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0059 0.0505
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1405 0.1401
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0474 0.4314
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0005 0.0004 0.0041
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0005 0.0004 0.0022
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0238 0.0234
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0517 0.202
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0139 0.2684
Brugia malayi TAR-binding protein 0.0061 0.0713 0.2462
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0059 0.0191
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1258 0.1254
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0005 0.0004 0.0022
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0139 0.0529
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0238 0.092
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1094 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.043 0.3928
Toxoplasma gondii proteasome subunit alpha type 5-2, putative 0.0005 0.0004 0.0086
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0139 0.0529
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0005 0.0004 0.0041
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.0095 0.0832
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.1094 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0132 0.0501
Treponema pallidum NADH oxidase 0.0016 0.0139 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1405 0.1401
Brugia malayi hypothetical protein 0.0016 0.0137 0.0462
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.003 0.0324 0.1593
Toxoplasma gondii proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative 0.0005 0.0004 0.0086
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0139 1
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.0238 0.0234
Schistosoma mansoni DNA helicase recq5 0.001 0.0059 0.0296
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0005 0.0004 0.0022
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0139 0.2684
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0095 0.0357
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0517 0.2552
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0196 0.3744
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.1094 0.3785
Entamoeba histolytica proteasome subunit beta type 7-B precursor, putative 0.0005 0.0004 0.0041
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0005 0.0004 0.0041
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.1094 0.5428
Toxoplasma gondii proteasome subunit alpha1, putative 0.0005 0.0004 0.0086
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0095 0.0357
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0005 0.0004 0.0022
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0247 0.0955
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0794 1 1
Schistosoma mansoni smad 0.0008 0.0038 0.0188
Brugia malayi MH2 domain containing protein 0.0008 0.0038 0.0116
Toxoplasma gondii peptidase, T1 family protein 0.0005 0.0004 0.0086
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0077 0.0359
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.003 0.0324 0.1593
Brugia malayi Smad1 0.0008 0.0038 0.0116
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0059 0.115
Schistosoma mansoni smad1 5 8 and 0.0008 0.0038 0.0188
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0238 0.092
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0139 1
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0005 0.0004 0.0022
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0005 0.0004 0.0022
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.1094 0.5428
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0005 0.0004 0.0041
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1399 0.4844
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0474 0.9181
Schistosoma mansoni hypothetical protein 0.003 0.0324 0.1612
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0005 0.0004 0.0022
Plasmodium vivax glutathione reductase, putative 0.0046 0.0517 1
Schistosoma mansoni hypothetical protein 0.003 0.0324 0.1612
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.1094 0.3785
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1094 1
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0005 0.0004 0.0022
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0713 0.2462
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0139 0.1232
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0139 0.0466
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1094 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0713 0.3546
Toxoplasma gondii proteasome subunit alpha type 1, putative 0.0005 0.0004 0.0086
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.0238 0.2143
Echinococcus multilocularis geminin 0.0164 0.2011 1
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0139 0.0529
Mycobacterium ulcerans hypothetical protein 0.0024 0.0238 0.0234
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0096 0.1158 0.4008
Echinococcus granulosus GPCR family 2 0.003 0.0324 0.1593
Loa Loa (eye worm) hypothetical protein 0.003 0.0324 0.1111
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0005 0.0004 0.0022
Brugia malayi Calcitonin receptor-like protein seb-1 0.0096 0.1158 0.4008
Toxoplasma gondii 20S proteasome subunit beta 7, putative 0.0005 0.0004 0.0086
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0085 0.0281
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0232 0.1133
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0139 0.262
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0139 0.0529
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0232 0.079
Plasmodium falciparum glutathione reductase 0.0046 0.0517 1
Brugia malayi Pax transcription factor protein 2 0.0233 0.2883 1
Echinococcus multilocularis smad 0.0008 0.0038 0.0166
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1399 0.4844
Brugia malayi MH1 domain containing protein 0.0008 0.0038 0.0116
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.003 0.0324 0.1593
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.1094 0.4295
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.1094 0.3785
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1258 0.1254
Schistosoma mansoni hypothetical protein 0.003 0.0324 0.1612
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0139 0.0669
Echinococcus granulosus tar DNA binding protein 0.0061 0.0713 0.3532
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0247 0.4727
Loa Loa (eye worm) Smad1 0.0008 0.0038 0.0116
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0139 0.0529
Brugia malayi hypothetical protein 0.0035 0.0378 0.1299
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0139 0.0529
Brugia malayi Thioredoxin reductase 0.0046 0.0517 0.178
Leishmania major hypothetical protein, conserved 0.0024 0.0247 0.0955
Loa Loa (eye worm) hypothetical protein 0.0117 0.1417 0.4906
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0474 0.2342
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0132 0.0633
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0132 0.2545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0498 0.2475
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1094 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0059 0.0274
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0139 0.0134
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0139 0.262
Entamoeba histolytica hypothetical protein 0.0035 0.0378 0.3459
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0247 0.0955
Entamoeba histolytica hypothetical protein 0.0035 0.0378 0.3459
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0517 0.2552
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0132 0.0441
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0132 0.0127
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0059 0.0191
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0005 0.0004 0.0041
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0139 0.262
Mycobacterium tuberculosis Probable reductase 0.0104 0.1258 0.1254
Loa Loa (eye worm) RecQ helicase 0.0023 0.0232 0.079
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0498 0.1714
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.0191
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0139 0.0529
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0038 0.0166
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0005 0.0004 0.0086
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0247 0.4772
Schistosoma mansoni Smad4 0.0008 0.0038 0.0188
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.1094 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0517 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0085 0.0281
Toxoplasma gondii proteasome subunit beta type 7 precursor, putative 0.0005 0.0004 0.0086
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0005 0.0004 0.0022
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0095 0.0357
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0134 0.2602
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0139 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0378 0.1863
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0139 0.0134
Loa Loa (eye worm) pax transcription factor protein 2 0.0233 0.2883 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.1762 0.8758
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0713 0.3546
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0139 0.0529
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0132 0.0501
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0132 0.0633
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0132 0.2545
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0038 0.0188
Toxoplasma gondii proteasome subunit alpha type, putative 0.0005 0.0004 0.0086
Schistosoma mansoni hypothetical protein 0.0164 0.2011 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0232 0.2088
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0139 0.0529
Schistosoma mansoni hypothetical protein 0.003 0.0324 0.1612
Entamoeba histolytica hypothetical protein 0.0035 0.0378 0.3459
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0378 0.1863
Schistosoma mansoni hypothetical protein 0.0035 0.0378 0.1881
Onchocerca volvulus 0.001 0.0063 0.0205
Toxoplasma gondii proteasome subunit 0.0005 0.0004 0.0086
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0238 0.092
Entamoeba histolytica proteasome subunit alpha type 1, putative 0.0005 0.0004 0.0041
Echinococcus granulosus bloom syndrome protein 0.0023 0.0232 0.1133
Schistosoma mansoni hypothetical protein 0.0066 0.0772 0.3839
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0498 0.2458
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0132 0.0633
Brugia malayi hypothetical protein 0.0024 0.0247 0.0841
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0132 0.0654
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0132 0.0501
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0247 0.4727
Plasmodium falciparum glutathione reductase 0.0016 0.0139 0.262
Schistosoma mansoni smad1 5 8 and 0.0008 0.0038 0.0188
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1405 0.1401
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.043 0.3904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0498 0.2458
Mycobacterium ulcerans proteasome PrcA 0.0794 1 1
Brugia malayi MH2 domain containing protein 0.0115 0.1399 0.4844
Schistosoma mansoni hypothetical protein 0.0164 0.2011 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0139 0.0529
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0139 0.0134
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0132 0.248
Brugia malayi isocitrate dehydrogenase 0.0015 0.0132 0.0441
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0238 0.0234
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.043 0.8302
Loa Loa (eye worm) hypothetical protein 0.0066 0.0772 0.2667
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0005 0.0004 0.0022
Loa Loa (eye worm) latrophilin receptor protein 2 0.003 0.0324 0.1111
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0713 0.2462
Leishmania major trypanothione reductase 0.0046 0.0517 0.202
Brugia malayi MH1 domain containing protein 0.0008 0.0038 0.0116
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.2541 1
Loa Loa (eye worm) acetyltransferase 0.0144 0.1762 0.6105
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.0324 0.1111
Onchocerca volvulus 0.0233 0.2883 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0498 0.2458
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0139 0.0529
Echinococcus multilocularis GPCR, family 2 0.003 0.0324 0.1593
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0139 0.1232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0498 0.2458

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 79.4328 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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