Detailed information for compound 73473

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.94 | Formula: C9H16CuN6S2++
  • H donors: 2 H acceptors: 0 LogP: 1.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC1=N[N+]2=CC(=[N+]3[Cu]2(S1)SC(=N3)NC)C(C)C
  • InChi: 1S/C9H18N6S2.Cu/c1-6(2)7(13-15-9(17)11-4)5-12-14-8(16)10-3;/h5-6H,1-4H3,(H2,10,14,16)(H2,11,15,17);/q;+4/p-2/b12-5+,13-7-;
  • InChiKey: WVERLVVCXHICDI-SZUYZVRDSA-L  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi hypothetical protein 0.0133 0.2323 0.2281
Echinococcus granulosus ephrin type A receptor 4 A 0.0422 0.8617 0.8792
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0166 0.303 0.3055
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I) 0.0141 0.2482 0.3223
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0207 0.3918 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0031 0.0098 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Schistosoma mansoni DNA helicase recq5 0.0031 0.0098 0.0051
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0079 0.1137 0.2801
Brugia malayi chromobox protein homolog 3 0.0043 0.0347 0.0294
Loa Loa (eye worm) hypothetical protein 0.0034 0.0145 0.0092
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0118 0.1992 0.2486
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0031 0.0098 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Echinococcus granulosus bloom syndrome protein 0.0045 0.0397 0.0352
Leishmania major DNA polymerase eta, putative 0.0041 0.0309 0.0397
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.0336 0.0283
Trichomonas vaginalis DNA helicase recq1, putative 0.0045 0.0397 0.0888
Toxoplasma gondii thioredoxin reductase 0.0052 0.0544 0.1521
Loa Loa (eye worm) hypothetical protein 0.0486 1 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.0991 0.0962
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0336 0.074
Loa Loa (eye worm) RecQ helicase 0.0045 0.0397 0.0345
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0348 0.6996 1
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0166 0.303 0.3059
Treponema pallidum flavodoxin 0.0079 0.1137 0.5
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0079 0.1137 0.2801
Mycobacterium tuberculosis Probable oxidoreductase 0.0131 0.2279 0.2918
Brugia malayi flavodoxin family protein 0.0207 0.3918 0.3884
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0166 0.303 0.4251
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0131 0.2279 0.2918
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0084 0.1246 0.1664
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.0309 0.0719
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0336 0.0469
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0348 0.6996 1
Schistosoma mansoni tyrosine kinase 0.0258 0.5033 0.5114
Leishmania major hypothetical protein, conserved 0.0079 0.1137 0.2599
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0418 0.0941
Toxoplasma gondii endonuclease IV APN 0.0084 0.1246 0.3915
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0398 0.2442
Schistosoma mansoni cytochrome P450 reductase 0.0207 0.3918 0.397
Loa Loa (eye worm) runx1 0.0061 0.0742 0.0691
Loa Loa (eye worm) hypothetical protein 0.0041 0.0311 0.0258
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0131 0.2279 0.2918
Echinococcus multilocularis chromobox protein 1 0.0076 0.1079 0.1052
Schistosoma mansoni phd finger protein 0.0029 0.0054 0.0006
Schistosoma mansoni ephrin receptor 0.0381 0.772 0.7872
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0347 0.0758
Mycobacterium ulcerans endonuclease IV 0.0084 0.1246 0.1366
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0336 0.0729
Schistosoma mansoni tyrosine kinase 0.0155 0.2792 0.2815
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0207 0.3918 0.3967
Echinococcus multilocularis bloom syndrome protein 0.0045 0.0397 0.0352
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0042 0.0335 0.0344
Brugia malayi ImpB/MucB/SamB family protein 0.007 0.0945 0.0895
Echinococcus granulosus epidermal growth factor receptor 0.0258 0.5033 0.5111
Trypanosoma brucei DNA polymerase eta, putative 0.007 0.0945 0.2314
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0079 0.1137 0.2809
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0309 0.0659
Loa Loa (eye worm) hypothetical protein 0.0348 0.6996 0.698
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0991 0.2425
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0169 0.3099 0.3126
Schistosoma mansoni hypothetical protein 0.0029 0.0054 0.0006
Echinococcus multilocularis chromobox protein 1 0.0076 0.1079 0.1052
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0544 0.0502
Trichomonas vaginalis sulfite reductase, putative 0.0207 0.3918 1
Echinococcus granulosus endonuclease reverse transcriptase 0.0041 0.0311 0.0263
Echinococcus granulosus methionine synthase reductase 0.0128 0.2195 0.2198
Trichomonas vaginalis DNA helicase recq, putative 0.0045 0.0397 0.0888
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0079 0.1137 0.1506
Loa Loa (eye worm) hypothetical protein 0.007 0.0945 0.0895
Brugia malayi Thioredoxin reductase 0.0052 0.0544 0.0492
Loa Loa (eye worm) hypothetical protein 0.0486 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.0207 0.3918 0.5537
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0544 0.0492
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0008
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0041 0.0311 0.0444
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0785 0.0734
Brugia malayi GCC2 and GCC3 family protein 0.0041 0.0311 0.0258
Toxoplasma gondii flavodoxin domain-containing protein 0.0102 0.1649 0.5289
Echinococcus granulosus chromobox protein 1 0.0076 0.1079 0.1052
Loa Loa (eye worm) hypothetical protein 0.019 0.3565 0.353
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0118 0.1992 0.6032
Toxoplasma gondii GCC2 and GCC3 domain-containing protein 0.0041 0.0311 0.0725
Leishmania major p450 reductase, putative 0.0207 0.3918 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0476 0.9794 0.9793
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0031 0.0098 0.0044
Loa Loa (eye worm) hypothetical protein 0.0084 0.1246 0.1198
Mycobacterium tuberculosis Probable reductase 0.0118 0.1992 0.2486
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0079 0.1137 0.2801
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0336 0.0289
Loa Loa (eye worm) hypothetical protein 0.0043 0.0347 0.0294
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.0336 0.0729
Leishmania major cytochrome P450 reductase, putative 0.0183 0.3406 0.8637
Echinococcus multilocularis Protein lozenge 0.0061 0.0742 0.0706
Giardia lamblia Hypothetical protein 0.0041 0.0311 0.0764
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.0544 0.0777
Echinococcus granulosus epidermal growth factor receptor 0.0476 0.9794 1
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0348 0.6996 1
Onchocerca volvulus 0.0041 0.0311 0.0258
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0166 0.303 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0311 0.0258
Echinococcus multilocularis 0.0146 0.2599 0.2612
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0207 0.3918 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0207 0.3918 0.3967
Brugia malayi GCC2 and GCC3 family protein 0.0041 0.0311 0.0258
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0029 0.0054 0.0006
Loa Loa (eye worm) TK/EPH protein kinase 0.0484 0.9956 0.9956
Schistosoma mansoni hypothetical protein 0.0041 0.0311 0.0269
Loa Loa (eye worm) hypothetical protein 0.0031 0.0098 0.0044
Trypanosoma cruzi DNA polymerase eta, putative 0.007 0.0945 0.2305
Chlamydia trachomatis sulfite reductase 0.0128 0.2195 0.1651
Loa Loa (eye worm) TK/INSR protein kinase 0.0155 0.2792 0.2753
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0544 0.0502
Echinococcus granulosus dna polymerase eta 0.007 0.0945 0.0914
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0336 0.0729
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0347 0.0758
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0079 0.1137 0.2801
Schistosoma mansoni chromobox protein 0.0076 0.1079 0.1057
Plasmodium falciparum cysteine repeat modular protein 4 0.0041 0.0311 0.0308
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0084 0.1246 0.1366
Trypanosoma brucei trypanothione reductase 0.0052 0.0544 0.1277
Echinococcus multilocularis insulin receptor 0.0155 0.2792 0.2811
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.0991 0.2213
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0169 0.3099 0.3126
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0348 0.6996 1
Echinococcus granulosus sodium channel protein 0.004 0.0295 0.0247
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0311 0.0444
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.1079 0.103
Echinococcus multilocularis ephrin type A receptor 4 A 0.0422 0.8617 0.8792
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0258 0.5033 0.5111
Echinococcus multilocularis dna polymerase eta 0.007 0.0945 0.0914
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0034 0.016 0.0273
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0544 0.1267
Leishmania major DNA polymerase eta, putative 0.007 0.0945 0.209
Entamoeba histolytica type A flavoprotein, putative 0.0079 0.1137 1
Schistosoma mansoni Protein aveugle 0.0029 0.0054 0.0006
Trichomonas vaginalis chromobox protein, putative 0.0076 0.1079 0.2652
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.0336 0.0289
Brugia malayi GCC2 and GCC3 family protein 0.0041 0.0311 0.0258
Brugia malayi ephrin receptor 1 precursor 0.0183 0.3407 0.3371
Entamoeba histolytica cysteine-rich surface protein, putative 0.0041 0.0311 0.1544
Loa Loa (eye worm) hypothetical protein 0.0207 0.3918 0.3884
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0327 0.028
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0207 0.3918 1
Plasmodium falciparum cysteine repeat modular protein 3 0.0041 0.0311 0.0308
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0336 0.0283
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0785 0.0674
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0166 0.303 0.7702
Schistosoma mansoni tyrosine kinase 0.0251 0.4884 0.4962
Plasmodium falciparum glutathione reductase 0.0052 0.0544 0.0646
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0166 0.303 0.3103
Mycobacterium tuberculosis Probable dehydrogenase 0.0118 0.1992 0.2486
Schistosoma mansoni DNAj-like protein 0.0029 0.0054 0.0006
Plasmodium falciparum conserved protein, unknown function 0.0041 0.0311 0.0308
Entamoeba histolytica protein kinase, putative 0.0041 0.0311 0.1544
Entamoeba histolytica type A flavoprotein, putative 0.0079 0.1137 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.0991 0.0942
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0336 0.0729
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0207 0.3918 0.3967
Schistosoma mansoni NADPH flavin oxidoreductase 0.0104 0.1683 0.1677
Echinococcus multilocularis methionine synthase reductase 0.0128 0.2195 0.2198
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0207 0.3918 1
Schistosoma mansoni hypothetical protein 0.0029 0.0054 0.0006
Loa Loa (eye worm) hypothetical protein 0.0041 0.0311 0.0258
Echinococcus granulosus dna polymerase kappa 0.0042 0.0336 0.0289
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0166 0.303 0.3055
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Trichomonas vaginalis DNA helicase recq, putative 0.0034 0.016 0.0273
Schistosoma mansoni polyhomeotic 0.0029 0.0054 0.0006
Toxoplasma gondii flavodoxin domain-containing protein 0.0102 0.1649 0.5289
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0034 0.016 0.0284
Entamoeba histolytica type A flavoprotein, putative 0.0079 0.1137 1
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 1 KasA (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0141 0.2482 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0079 0.1137 0.2801
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0084 0.1246 0.1198
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0166 0.303 0.4045
Trypanosoma brucei unspecified product 0.0042 0.0336 0.074
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0336 0.0295
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0398 0.2442
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0166 0.303 0.4331
Schistosoma mansoni lozenge 0.0061 0.0742 0.0711
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0348 0.6996 1
Giardia lamblia Nitric oxide synthase, inducible 0.0183 0.3406 1
Brugia malayi glutathione reductase 0.0052 0.0544 0.0492
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Schistosoma mansoni sex comb on midleg homolog 0.0029 0.0054 0.0006
Onchocerca volvulus 0.0374 0.7571 0.7558
Giardia lamblia Hypothetical protein 0.0183 0.3406 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0207 0.3918 1
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0166 0.303 0.7705
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.004 0.0295 0.0247
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0398 0.2442
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0785 0.075
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0166 0.303 0.2992
Loa Loa (eye worm) FAD binding domain-containing protein 0.0207 0.3918 0.3884
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0348 0.6996 1
Schistosoma mansoni sex comb on midleg homolog 0.0029 0.0054 0.0006
Echinococcus multilocularis epidermal growth factor receptor 0.0476 0.9794 1
Plasmodium vivax glutathione reductase, putative 0.0052 0.0544 0.0777
Plasmodium vivax protein kinase, putative 0.0036 0.0203 0.029
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0166 0.303 0.4045
Entamoeba histolytica hypothetical protein 0.0041 0.0311 0.1544
Schistosoma mansoni tyrosine kinase 0.0251 0.4884 0.4962
Schistosoma mansoni DNA polymerase eta 0.007 0.0945 0.092
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0693 0.0642
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0785 0.0755
Plasmodium vivax hypothetical protein, conserved 0.0079 0.1137 0.1625
Brugia malayi Protein kinase domain containing protein 0.0155 0.2792 0.2753
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0131 0.2279 0.8359
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0348 0.6996 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.0336 0.0289
Onchocerca volvulus 0.0486 1 1
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0418 0.0941
Brugia malayi GCC2 and GCC3 family protein 0.0041 0.0311 0.0258
Echinococcus granulosus chromobox protein 1 0.0076 0.1079 0.1052
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0084 0.1246 0.1781
Entamoeba histolytica hypothetical protein 0.0041 0.0311 0.1544
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0079 0.1137 0.2801
Plasmodium falciparum cysteine repeat modular protein 2 0.0041 0.0311 0.0308
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0348 0.6996 1
Schistosoma mansoni tyrosine kinase 0.0476 0.9794 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0991 0.2425
Schistosoma mansoni tyrosine kinase 0.0251 0.4884 0.4962
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Plasmodium falciparum thioredoxin reductase 0.0052 0.0544 0.0646
Brugia malayi FAD binding domain containing protein 0.0207 0.3918 0.3884
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0183 0.3406 0.8675
Toxoplasma gondii kringle domain-containing protein 0.0041 0.0311 0.0725
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0207 0.3918 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.0785 0.0674
Brugia malayi FAD binding domain containing protein 0.0128 0.2195 0.2152
Entamoeba histolytica type A flavoprotein, putative 0.0079 0.1137 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.0544 0.0312
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0336 0.074
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0336 0.1806
Echinococcus granulosus insulin receptor 0.0155 0.2792 0.2811
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0075 0.0052
Trypanosoma brucei Present in the outer mitochondrial membrane proteome 24 0.0029 0.0054 0.0012
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0118 0.1992 0.2486
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 2 KasB (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0141 0.2482 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0785 0.075
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0398 0.2442
Entamoeba histolytica hypothetical protein, conserved 0.0041 0.0311 0.1544
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0336 0.074
Schistosoma mansoni DNA helicase recq1 0.0031 0.0098 0.0051
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.0336 0.0729
Brugia malayi Bloom's syndrome protein homolog 0.0045 0.0397 0.0345
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0128 0.2195 0.2202
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0327 0.028
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0031 0.0098 0.0045
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0207 0.3918 0.56
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0079 0.1137 0.1506
Schistosoma mansoni Protein aveugle 0.0029 0.0054 0.0006
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0398 0.2442
Leishmania major calcium channel protein, putative,ion transporter, putative 0.004 0.0295 0.036
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0166 0.303 0.2992
Echinococcus multilocularis epidermal growth factor receptor 0.0258 0.5033 0.5111
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0118 0.1992 0.2486
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0418 0.0366
Trichomonas vaginalis chromobox protein, putative 0.0076 0.1079 0.2652
Toxoplasma gondii hypothetical protein 0.0041 0.0311 0.0725
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0031 0.0098 0.0045
Schistosoma mansoni chromobox protein 0.0076 0.1079 0.1057
Trypanosoma brucei SAM domain (Sterile alpha motif), putative 0.0029 0.0054 0.0012
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0336 0.0729
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0991 0.2434
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.0785 0.1663
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0207 0.3918 0.5378
Giardia lamblia CEGP1 protein 0.0041 0.0311 0.0764
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.0991 0.0967
Giardia lamblia DINP protein human, muc B family 0.0042 0.0336 0.0841
Echinococcus multilocularis endonuclease reverse transcriptase 0.0041 0.0311 0.0263
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0031 0.0098 0.0045
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.0991 0.8515
Onchocerca volvulus 0.0041 0.0311 0.0258
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0207 0.3918 1
Onchocerca volvulus 0.0034 0.0145 0.0092
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0207 0.3918 1
Entamoeba histolytica type A flavoprotein, putative 0.0079 0.1137 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Loa Loa (eye worm) flavodoxin family protein 0.0079 0.1137 0.1088
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0785 0.0674
Trypanosoma cruzi p450 reductase, putative 0.0207 0.3918 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0118 0.1992 0.2486
Loa Loa (eye worm) hypothetical protein 0.0041 0.0311 0.0258
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0347 0.0294
Plasmodium vivax cysteine repeat modular protein 2, putative 0.0041 0.0311 0.0444
Giardia lamblia Sgs1 DNA helicase, putative 0.0031 0.0098 0.013
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0031 0.0098 0.0000000010628
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0207 0.3918 0.3967
Plasmodium vivax cysteine repeat modular protein 3, putative 0.0041 0.0311 0.0444
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.0991 0.0962
Brugia malayi Heterochromatin protein 1 0.0076 0.1079 0.103
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.0336 0.0295
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0166 0.303 0.7702
Loa Loa (eye worm) glutathione reductase 0.0052 0.0544 0.0492
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0311 0.0444
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.0991 0.0942
Plasmodium falciparum cysteine repeat modular protein 1 0.0041 0.0311 0.0308
Leishmania major trypanothione reductase 0.0052 0.0544 0.1022
Loa Loa (eye worm) FAD binding domain-containing protein 0.0128 0.2195 0.2152
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0075 0.0052
Loa Loa (eye worm) hypothetical protein 0.0374 0.7571 0.7558
Echinococcus multilocularis sodium channel protein 0.004 0.0295 0.0247
Schistosoma mansoni tyrosine kinase 0.0258 0.5033 0.5114
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 1 KasA (beta-ketoacyl-ACP synthase) (KAS I) 0.0141 0.2482 0.3223
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0336 0.074
Schistosoma mansoni diflavin oxidoreductase 0.0102 0.1649 0.1642
Brugia malayi flavodoxin family protein 0.0079 0.1137 0.1088
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0166 0.303 0.7638
Schistosoma mansoni lip-related protein (liprin) alpha 0.0029 0.0054 0.0006
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0079 0.1137 0.2801
Schistosoma mansoni tyrosine kinase 0.0155 0.2792 0.2815
Plasmodium vivax flavodoxin domain containing protein 0.0183 0.3406 0.4868
Leishmania major DNA polymerase kappa, putative 0.0042 0.0336 0.0469
Schistosoma mansoni spingomyelin synthetase-related 0.0029 0.0054 0.0006
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0031 0.0098 0.0045
Brugia malayi Furin-like cysteine rich region family protein 0.0476 0.9794 0.9793

Activities

Activity type Activity value Assay description Source Reference
Injected dose (functional) = 0.95 % Myocardial levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 1.5 % Myocardial levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 1.7 % Myocardial levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 1.7 % Pulmonary levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 2.4 % Kidney levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 2.5 % Kidney levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 2.6 % Brain levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 2.9 % Brain levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 3.1 % Kidney levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 3.4 % Brain levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 3.4 % Pulmonary levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 3.8 % Pulmonary levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 7.1 % Blood levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 7.7 % Blood levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 8.3 % Blood levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 17.2 % Liver levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 19.2 % Liver levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 25.9 % Liver levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
logP (ADMET) = 2.77 Partition coefficient (logP) ChEMBL. 2342070

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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