Detailed information for compound 1086925

Basic information

Technical information
  • TDR Targets ID: 1086925
  • Name: 3-(5-bromo-1,3-thiazol-2-yl)-1-[4-methyl-5-(2 -methylpropyl)thiophen-2-yl]sulfonylurea
  • MW: 438.383 | Formula: C13H16BrN3O3S3
  • H donors: 2 H acceptors: 4 LogP: 5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1sc(cc1C)S(=O)(=O)NC(=O)Nc1ncc(s1)Br)C
  • InChi: 1S/C13H16BrN3O3S3/c1-7(2)4-9-8(3)5-11(21-9)23(19,20)17-12(18)16-13-15-6-10(14)22-13/h5-7H,4H2,1-3H3,(H2,15,16,17,18)
  • InChiKey: PUQFGUSERAJQFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(5-bromothiazol-2-yl)-1-[(5-isobutyl-4-methyl-2-thienyl)sulfonyl]urea
  • 3-(5-bromo-2-thiazolyl)-1-[(5-isobutyl-4-methyl-2-thienyl)sulfonyl]urea
  • 3-(5-bromo-1,3-thiazol-2-yl)-1-[4-methyl-5-(2-methylpropyl)thiophen-2-yl]sulfonyl-urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus fructose bisphosphatase 1 Starlite/ChEMBL References
Homo sapiens fructose-1,6-bisphosphatase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Toxoplasma gondii fructose-bisphospatase II Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania infantum fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania donovani fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma congolense fructose-1,6-bisphosphate, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma brucei gambiense fructose-1,6-bisphosphate, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania mexicana fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Neospora caninum Fructose-1 6-biphosphatase, related Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma brucei fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania major Get druggable targets OG5_127400 All targets in OG5_127400
Candida albicans similar to S. cerevisiae FBP1 (YLR377C) Fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Echinococcus granulosus fructose 16 bisphosphatase 1 Get druggable targets OG5_127400 All targets in OG5_127400
Schistosoma japonicum ko:K03841 fructose-1,6-bisphosphatase I, putative Get druggable targets OG5_127400 All targets in OG5_127400
Schistosoma mansoni fructose-16-bisphosphatase-related Get druggable targets OG5_127400 All targets in OG5_127400
Loa Loa (eye worm) fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 Get druggable targets OG5_127400 All targets in OG5_127400
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii fructose-bisphospatase I fructose-1,6-bisphosphatase 1 338 aa 326 aa 31.0 %
Toxoplasma gondii fructose-bisphospatase I fructose bisphosphatase 1 338 aa 326 aa 29.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis transcription factor btf3 0.0035 0.0301 0.0301
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0042 0.0393 0.4664
Echinococcus granulosus tyrosine protein kinase Lyn 0.0018 0.0097 0.0129
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0237 0.0315
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.1244 0.8714
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0111 0.0239
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.1244 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1582 0.2102
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0074 0.0159
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.116 0.2497
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.1244 0.8837
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0582 0.1254
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0042 0.0393 0.0845
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0505 0.3256
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0018 0.0097 0.0097
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0177 0.0381
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0111 0.0239
Loa Loa (eye worm) hypothetical protein 0.015 0.1759 0.2337
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0111 0.0148
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0437 0.0941
Brugia malayi Pre-SET motif family protein 0.0206 0.2466 0.531
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0842 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0842 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0842 0.1118
Schistosoma mansoni hypothetical protein 0.0102 0.116 0.154
Schistosoma mansoni ran 0.0042 0.0393 0.0521
Loa Loa (eye worm) TK/ABL protein kinase 0.057 0.7074 0.9397
Brugia malayi Tyrosine-protein kinase abl-1 0.0346 0.4235 0.9121
Echinococcus granulosus tyrosine protein kinase ABL1 0.057 0.7074 0.9397
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0464 0.0464
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0464 0.0999
Loa Loa (eye worm) hypothetical protein 0.0045 0.0437 0.058
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0111 0.0148
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.1398 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1582 0.2102
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0018 0.0097 0.0097
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0034 0.0074
Brugia malayi Probable ClpP-like protease 0.0077 0.0842 0.1813
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0464 0.0616
Echinococcus multilocularis GPCR, family 2 0.0047 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0016 0.0068 0.0091
Trichomonas vaginalis ran, putative 0.0042 0.0393 0.139
Echinococcus multilocularis importin subunit beta 1 0.0057 0.0582 0.0582
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.1759 0.2337
Entamoeba histolytica hypothetical protein 0.0046 0.0446 1
Giardia lamblia DINP protein human, muc B family 0.002 0.0111 0.1169
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0437 0.0795
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0074 0.0159
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0074 0.0074
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0111 0.0148
Toxoplasma gondii thioredoxin reductase 0.0048 0.0469 0.101
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0074 0.0877
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0074 0.0098
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0111 0.0082
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0842 1
Schistosoma mansoni tyrosine kinase 0.0018 0.0097 0.0129
Brugia malayi Variant SH3 domain containing protein 0.0016 0.0068 0.0147
Brugia malayi Importin beta-1 subunit 0.0057 0.0582 0.1254
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0074 0.0159
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0111 0.0485
Brugia malayi hypothetical protein 0.0025 0.0177 0.0381
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0842 0.5353
Loa Loa (eye worm) hypothetical protein 0.0047 0.0464 0.0616
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0378 0.4644 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0378 0.4644 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0018 0.0097 0.0097
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1582 0.1582
Echinococcus granulosus tyrosine protein kinase Fyn 0.0018 0.0097 0.0129
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0177 0.0225
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0034 0.0074
Schistosoma mansoni tyrosine kinase 0.0018 0.0097 0.0129
Leishmania major hypothetical protein, conserved 0.0025 0.0177 0.0381
Echinococcus granulosus dna polymerase eta 0.0045 0.0437 0.058
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0074 0.0159
Entamoeba histolytica Ran family GTPase 0.0042 0.0393 0.8795
Echinococcus multilocularis dna polymerase eta 0.0045 0.0437 0.0437
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0074 0.0159
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0111 0.0082
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0111 0.0082
Loa Loa (eye worm) hypothetical protein 0.0025 0.0177 0.0235
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0018 0.0097 0.0097
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0004 0.0006
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0237 0.0237
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0016 0.0068 0.0091
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0141 0.1642 0.3431
Echinococcus granulosus c src tyrosine kinase 0.0018 0.0097 0.0129
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0469 0.2985
Toxoplasma gondii HEAT repeat-containing protein 0.0057 0.0582 0.1254
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0464 0.0616
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2466 0.3275
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0237 0.0315
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0267 0.0574
Echinococcus multilocularis tyrosine protein kinase Abl 0.0232 0.2803 0.2803
Echinococcus multilocularis dna polymerase kappa 0.002 0.0111 0.0111
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Loa Loa (eye worm) hypothetical protein 0.0077 0.0842 0.1118
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0177 0.2099
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0301 0.1066
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0842 1
Leishmania major DNA polymerase kappa, putative 0.002 0.0111 0.0239
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0378 0.4644 0.6169
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0074 0.0159
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0201 0.2388
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0074 0.0098
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0042 0.0393 0.0393
Schistosoma mansoni hypothetical protein 0.0011 0.0004 0.0006
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0505 0.254
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0464 0.0616
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0111 0.0393
Plasmodium falciparum glutathione reductase 0.0017 0.0074 0.0877
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0074 0.0261
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0842 1
Plasmodium vivax importin-beta 2, putative 0.0057 0.0582 0.6916
Schistosoma mansoni hypothetical protein 0.0047 0.0464 0.0616
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1386 0.1842
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0111 0.0281
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0046 0.0446 0.158
Schistosoma mansoni tyrosine kinase 0.0018 0.0097 0.0129
Toxoplasma gondii fructose-bisphospatase I 0.0141 0.1642 0.3535
Plasmodium falciparum thioredoxin reductase 0.0048 0.0469 0.5573
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0004 0.0004
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0842 0.1813
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0464 0.0999
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0018 0.0097 0.0097
Echinococcus granulosus tyrosine protein kinase Fyn 0.0018 0.0097 0.0129
Onchocerca volvulus 0.0234 0.2825 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0042 0.0393 0.0845
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0141 0.1642 0.3535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.1582 0.3407
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0111 0.0239
Brugia malayi Sex muscle abnormal protein 5 0.0016 0.0068 0.0147
Echinococcus multilocularis snurportin 1 0.0606 0.7528 0.7528
Toxoplasma gondii hypothetical protein 0.0027 0.0201 0.0433
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0042 0.0393 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0111 0.0393
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.1398 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0237 0.0315
Loa Loa (eye worm) hypothetical protein 0.0216 0.2599 0.3453
Leishmania major GTP-binding protein, putative 0.0042 0.0393 0.0845
Echinococcus granulosus GPCR family 2 0.0047 0.0464 0.0616
Trypanosoma brucei unspecified product 0.0013 0.0034 0.0074
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.1398 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0505 0.0505
Leishmania major 0.0378 0.4644 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0018 0.0097 0.0129
Loa Loa (eye worm) hypothetical protein 0.003 0.0237 0.0315
Echinococcus granulosus growth factor receptor bound protein 2 0.0016 0.0068 0.0091
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0393 0.0698
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0141 0.1642 0.3431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1582 0.1582
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0141 0.1642 0.3535
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0237 0.0511
Schistosoma mansoni tyrosine kinase 0.0562 0.697 0.9259
Loa Loa (eye worm) hypothetical protein 0.0102 0.116 0.154
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Schistosoma mansoni growth factor receptor-bound protein 0.0016 0.0068 0.0091
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0469 0.5573
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0842 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0018 0.0097 0.0129
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0111 0.0281
Schistosoma mansoni hypothetical protein 0.0606 0.7528 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0464 0.0464
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1582 0.2102
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0074 0.0877
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1582 0.2102
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0046 0.0446 0.158
Brugia malayi Thioredoxin reductase 0.0048 0.0469 0.101
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0111 0.0239
Trypanosoma cruzi importin beta-1 subunit, putative 0.0046 0.0446 0.0815
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0842 0.1813
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0018 0.0097 0.0129
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0018 0.0097 0.0097
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0301 0.1066
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0042 0.0393 0.4664
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0301 0.3579
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.1759 0.3788
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0301 0.3579
Plasmodium falciparum thioredoxin reductase 0.0017 0.0074 0.0877
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0074 0.0877
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0201 0.2388
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0111 0.0239
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.1244 0.8837
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0111 0.2489
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0074 0.0159
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0034 0.0074
Schistosoma mansoni adapter molecule crk 0.0016 0.0068 0.0091
Brugia malayi hypothetical protein 0.0016 0.0066 0.0142
Schistosoma mansoni importin beta-1 0.0057 0.0582 0.0773
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0469 0.0469
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1386 0.1842
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0301 0.04
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0469 0.0623
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0074 0.0159
Leishmania major importin beta-1 subunit, putative 0.0046 0.0446 0.0961
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.1244 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0237 0.0237
Echinococcus granulosus tyrosine protein kinase Src64B 0.0018 0.0097 0.0129
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0505 0.3256
Echinococcus granulosus dna polymerase kappa 0.002 0.0111 0.0148
Schistosoma mansoni growth factor receptor-bound protein 0.0016 0.0068 0.0091
Trypanosoma brucei unspecified product 0.0013 0.0034 0.0074
Brugia malayi MH2 domain containing protein 0.012 0.1386 0.2985
Entamoeba histolytica hypothetical protein 0.0035 0.0301 0.6749
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0018 0.0097 0.0097
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0018 0.0039
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0469 0.0623
Leishmania major basic transcription factor 3a, putative 0.0035 0.0301 0.0649
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0016 0.0068 0.0091
Toxoplasma gondii fructose-bisphospatase II 0.0378 0.4644 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.1398 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0018 0.0097 0.0097
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0074 0.0159
Brugia malayi Variant SH3 domain containing protein 0.0016 0.0068 0.0147
Trypanosoma brucei trypanothione reductase 0.0048 0.0469 0.101
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0301 0.0649
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0018 0.0097 0.0129
Schistosoma mansoni tyrosine kinase 0.0018 0.0097 0.0129
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0074 0.0159
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0582 0.1254
Echinococcus granulosus NCK adaptor protein 0.0016 0.0068 0.0091
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0042 0.0393 0.0845
Brugia malayi glutathione reductase 0.0048 0.0469 0.101
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0018 0.0097 0.0129
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0177 0.2099
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0301 0.0498
Loa Loa (eye worm) hypothetical protein 0.0057 0.0582 0.0773
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0267 0.0422
Plasmodium falciparum importin beta, putative 0.0057 0.0582 0.6916
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0378 0.4644 0.6169
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0505 0.0671
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0378 0.4644 1
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0301 0.0649
Echinococcus granulosus snurportin 1 0.0606 0.7528 1
Echinococcus granulosus importin subunit beta 1 0.0057 0.0582 0.0773
Echinococcus multilocularis tyrosine protein kinase ABL1 0.057 0.7074 0.7074
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0018 0.0097 0.0097
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0042 0.0393 0.0521
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0074 0.0261
Leishmania major DNA polymerase eta, putative 0.0045 0.0437 0.0941
Schistosoma mansoni transcription factor btf3 0.0035 0.0301 0.04
Loa Loa (eye worm) SRC-1 0.0018 0.0097 0.0129
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0016 0.0068 0.0091
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0074 0.0159
Loa Loa (eye worm) glutathione reductase 0.0048 0.0469 0.0623
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0177 0.0381
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0177 0.2099
Plasmodium vivax glutathione reductase, putative 0.0048 0.0469 0.5573
Brugia malayi RNA, U transporter 1 0.0161 0.1906 0.4104
Echinococcus granulosus GTP binding nuclear protein Ran 0.0042 0.0393 0.0521
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0177 0.0225
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0437 0.0941
Trichomonas vaginalis importin beta-1, putative 0.0046 0.0446 0.158
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0074 0.0877
Schistosoma mansoni hypothetical protein 0.0047 0.0464 0.0616
Schistosoma mansoni ran 0.0042 0.0393 0.0521
Echinococcus multilocularis c src tyrosine kinase 0.0018 0.0097 0.0097
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.0301 0.6749
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0111 0.0148
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0111 0.0239
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.1244 0.8837
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0301 0.0498
Brugia malayi Tyrosine-protein kinase abl-1 0.0232 0.2803 0.6037
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0018 0.0097 0.0097
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0224 0.0297
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0237 0.0315
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0018 0.0039
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0842 1
Schistosoma mansoni DNA polymerase eta 0.0045 0.0437 0.058
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0111 0.0082
Plasmodium vivax SET domain protein, putative 0.003 0.0237 0.282
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0606 0.7528 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0201 0.1656
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0842 0.0842
Trypanosoma brucei unspecified product 0.002 0.0111 0.0239
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0237 0.0315
Schistosoma mansoni hypothetical protein 0.0047 0.0464 0.0616
Schistosoma mansoni nck2/grb4 0.0016 0.0068 0.0091
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0842 1
Mycobacterium tuberculosis Probable reductase 0.0109 0.1244 0.8837
Schistosoma mansoni hypothetical protein 0.0047 0.0464 0.0616
Leishmania major trypanothione reductase 0.0048 0.0469 0.101
Echinococcus granulosus tyrosine protein kinase Fyn 0.0018 0.0097 0.0129
Echinococcus multilocularis growth factor receptor bound protein 2 0.0016 0.0068 0.0068
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0378 0.4644 0.6169
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0111 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0301 0.1066
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0378 0.4644 0.4644
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0111 0.0485
Plasmodium falciparum glutathione reductase 0.0048 0.0469 0.5573
Echinococcus multilocularis NCK adaptor protein 0.0016 0.0068 0.0068
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.1582 0.2102
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0469 0.0865
Brugia malayi beta-NAC-like protein 0.0035 0.0301 0.0649
Brugia malayi fructose-1,6-bisphosphatase 0.0378 0.4644 1
Trichomonas vaginalis set domain proteins, putative 0.0234 0.2825 1
Echinococcus granulosus transcription factor btf3 0.0035 0.0301 0.04
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0393 0.0698
Brugia malayi SRC-1 0.0018 0.0097 0.021
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.1759 0.3788
Leishmania major DNA polymerase eta, putative 0.0032 0.0267 0.0574
Brugia malayi Pre-SET motif family protein 0.003 0.0237 0.0511
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0842 0.1118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1582 0.2102

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 13 uM Inhibition of FBPase in mouse liver ChEMBL. 19969452
IC50 (binding) = 0.03 uM Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate ChEMBL. 19969452
IC50 (binding) = 0.04 uM Inhibition of FBPase in human liver ChEMBL. 19969452

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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