Detailed information for compound 1617445

Basic information

Technical information
  • TDR Targets ID: 1617445
  • Name: acetic acid [3,5-diacetoxy-2-(acetoxymethyl)- 6-[[[N'-(2-phenyl-4-chromanylidene)hydrazino] -thioxomethyl]amino]-4-tetrahydropyranyl] est er
  • MW: 627.662 | Formula: C30H33N3O10S
  • H donors: 2 H acceptors: 4 LogP: 2.74 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)OCC1OC(NC(=S)N/N=C/2\CC(Oc3c2cccc3)c2ccccc2)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C
  • InChi: 1S/C30H33N3O10S/c1-16(34)38-15-25-26(39-17(2)35)27(40-18(3)36)28(41-19(4)37)29(43-25)31-30(44)33-32-22-14-24(20-10-6-5-7-11-20)42-23-13-9-8-12-21(22)23/h5-13,24-29H,14-15H2,1-4H3,(H2,31,33,44)/b32-22+
  • InChiKey: SKZCKWJZQGAIOP-WEMUVCOSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • acetic acid [3,5-diacetoxy-2-(acetoxymethyl)-6-[[[(N'E)-N'-(2-phenyl-4-chromanylidene)hydrazino]-thioxomethyl]amino]-4-tetrahydropyranyl] ester
  • NCI60_007000

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
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0262 0.0336 0.0336
Trypanosoma brucei DNA polymerase eta, putative 0.0064 0.0071 0.007
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1015 0.1343 0.217
Schistosoma mansoni transcription factor LCR-F1 0.0034 0.0031 0.0031
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0005 0.0004
Loa Loa (eye worm) beta-lactamase 0.0039 0.0038 0.0039
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.0034 0.0054
Echinococcus granulosus histone lysine methyltransferase setb 0.0026 0.0021 0.0021
Loa Loa (eye worm) transcription factor SMAD2 0.0092 0.0108 0.0112
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0041 0.0041
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Loa Loa (eye worm) hypothetical protein 0.0014 0.0005 0.0005
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0014 0.0014
Mycobacterium ulcerans DNA polymerase IV 0.0036 0.0034 0.0087
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0038 0.0038
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0018 0.0028
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0018 0.0017
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0262 0.0336 0.0336
Plasmodium vivax SET domain protein, putative 0.0026 0.0021 0.0028
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0038 0.0038
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.1015 0.1343 0.3532
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.0034 0.0054
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0055 0.0057
Trypanosoma cruzi acetyl-CoA carboxylase 0.4636 0.6185 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.0059 0.0155
Treponema pallidum pyruvate carboxylase subunit B 0.0262 0.0336 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0038 0.0039
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0016 0.0007 0.0017
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.2852 0.38 0.38
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0019 0.0018
Toxoplasma gondii ABC1 family protein 0.0039 0.0038 0.0038
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0038 0.0085
Mycobacterium ulcerans DNA polymerase IV 0.0036 0.0034 0.0087
Schistosoma mansoni DNA helicase recq1 0.0014 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.029 0.0373 0.0373
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.004 0.0039 0.0062
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0038 0.0061
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.2852 0.38 1
Mycobacterium ulcerans hypothetical protein 0.0021 0.0014 0.0036
Loa Loa (eye worm) hypothetical protein 0.0262 0.0336 0.0348
Echinococcus multilocularis dna polymerase eta 0.0064 0.0071 0.0071
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0038 0.006
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0262 0.0336 0.0464
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0262 0.0336 0.0884
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0011 0.0016
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0262 0.0336 0.0543
Trypanosoma cruzi DNA polymerase eta, putative 0.0064 0.0071 0.0114
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0645 0.0848 0.137
Echinococcus multilocularis bloom syndrome protein 0.0035 0.0032 0.0032
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.011 0.0133 0.0132
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0026 0.0021 0.0021
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0014 0.0005 0.0005
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0018 0.0017
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0014 0.0005 0.0005
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0005 0.0005
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0038 0.0038
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0039 0.0038 0.0037
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0038 0.0063
Brugia malayi Pre-SET motif family protein 0.0184 0.0232 0.024
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0232 0.0296 0.0478
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0038 0.1081
Loa Loa (eye worm) hypothetical protein 0.0262 0.0336 0.0348
Loa Loa (eye worm) hypothetical protein 0.0021 0.0014 0.0014
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0262 0.0336 0.0464
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0262 0.0336 0.0336
Brugia malayi Carboxyl transferase domain containing protein 0.7225 0.9649 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0055 0.0057
Schistosoma mansoni terminal deoxycytidyl transferase 0.0036 0.0034 0.0034
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.2852 0.38 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.2852 0.38 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0038 0.0039
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.2852 0.38 0.38
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0008 0.0008
Mycobacterium ulcerans hypothetical protein 0.0122 0.0149 0.0392
Loa Loa (eye worm) hypothetical protein 0.0039 0.0038 0.0039
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0038 0.1081
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0038 0.0052
Schistosoma mansoni blooms syndrome DNA helicase 0.0028 0.0022 0.0022
Toxoplasma gondii carbamoylphosphate synthetase 0.0645 0.0848 0.0847
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0021 0.0014 0.0022
Mycobacterium ulcerans hypothetical protein 0.0262 0.0336 0.0884
Entamoeba histolytica acyl-CoA synthetase, putative 0.0021 0.0014 0.0023
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0036 0.0034 0.0034
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2852 0.38 0.38
Schistosoma mansoni pyruvate carboxylase 0.2852 0.38 0.38
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0262 0.0336 0.0348
Leishmania major 4-coumarate:coa ligase-like protein 0.0021 0.0014 0.0014
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0645 0.0848 0.0848
Loa Loa (eye worm) hypothetical protein 0.0256 0.0327 0.0339
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0005 0.0004
Echinococcus multilocularis muscleblind protein 1 0.0256 0.0327 0.0327
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0262 0.0336 0.0543
Loa Loa (eye worm) hypothetical protein 0.0039 0.0038 0.0039
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0262 0.0336 0.0464
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5419 0.7233 1
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0262 0.0336 0.0336
Schistosoma mansoni aldehyde dehydrogenase 0.0055 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Echinococcus multilocularis dna polymerase kappa 0.0036 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0016 0.0008 0.0008
Entamoeba histolytica acyl-CoA synthetase, putative 0.0021 0.0014 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0036 0.0034 0.0034
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0008 0.0008
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0034 0.0031 0.0031
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0033 0.0034
Brugia malayi follicle stimulating hormone receptor 0.0207 0.0262 0.0271
Loa Loa (eye worm) hypothetical protein 0.0039 0.0038 0.0039
Echinococcus multilocularis GPCR, family 2 0.0016 0.0008 0.0008
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2852 0.38 0.38
Brugia malayi hypothetical protein 0.0024 0.0018 0.0018
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0763 0.1007 0.1007
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.1015 0.1343 0.3532
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.1015 0.1343 0.3509
Echinococcus multilocularis Biotin lipoyl attachment 0.0262 0.0336 0.0336
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0262 0.0336 0.0464
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0018 0.0028
Chlamydia trachomatis dihydrolipoamide acetyltransferase 0.0262 0.0336 0.0957
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0262 0.0336 0.0884
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.1015 0.1343 0.3523
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0014 0.0005 0.0005
Leishmania major DNA polymerase eta, putative 0.0064 0.0071 0.007
Trichomonas vaginalis DNA polymerase eta, putative 0.0036 0.0034 0.0903
Echinococcus multilocularis microtubule associated protein 2 0.0531 0.0696 0.0696
Onchocerca volvulus 0.0039 0.0038 0.0946
Echinococcus multilocularis muscleblind protein 0.0256 0.0327 0.0327
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0038 0.0099
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.011 0.0133 0.0214
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2852 0.38 0.38
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.1015 0.1343 0.1343
Mycobacterium tuberculosis Conserved hypothetical protein 0.0122 0.0149 0.0378
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0017 0.0016
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0645 0.0848 0.223
Loa Loa (eye worm) hypothetical protein 0.0021 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0026 0.0021 0.0021
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.1015 0.1343 0.1343
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0026 0.0021 0.0021
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0014 0.0005 0.0005
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0262 0.0336 0.0336
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0033 0.0029 0.0047
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0008 0.0007
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5419 0.7233 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0071 0.0073
Echinococcus granulosus Biotin lipoyl attachment 0.0262 0.0336 0.0336
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0041 0.0041
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0038 0.1081
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0038 0.0039
Brugia malayi MH2 domain containing protein 0.0092 0.0108 0.0112
Chlamydia trachomatis biotin carboxylase 0.259 0.3449 1
Leishmania major DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0034 0.0033
Trypanosoma brucei unspecified product 0.1875 0.2493 0.2493
Schistosoma mansoni hypothetical protein 0.029 0.0373 0.0373
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0262 0.0336 0.0957
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0055 0.0059 0.0059
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.1015 0.1343 0.388
Echinococcus granulosus muscleblind protein 0.0256 0.0327 0.0327
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.1015 0.1343 0.3532
Schistosoma mansoni DNA polymerase IV / kappa 0.0011 0.0001 0.0001
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0038 0.1081
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0262 0.0336 0.0336
Onchocerca volvulus 0.0143 0.0178 0.6473
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0008 0.0007
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0036 0.0034 0.0073
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.0059 0.0155
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2852 0.38 0.6143
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0262 0.0336 0.0871
Onchocerca volvulus 0.021 0.0266 1
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0262 0.0336 0.0543
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.0041 0.0041
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.1015 0.1343 0.3532
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0055 0.0059 0.0059
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0262 0.0336 0.0851
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0038 0.0085
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0038 0.0085
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0262 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0256 0.0327 0.0339
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0262 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0024 0.0018 0.0018
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0262 0.0336 0.0336
Mycobacterium tuberculosis Conserved protein 0.0039 0.0038 0.0085
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0014 0.0014
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0005 0.0005
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0038 0.0085
Plasmodium vivax acyl-CoA synthetase, putative 0.0016 0.0007 0.0009
Entamoeba histolytica hypothetical protein 0.0034 0.0031 0.0122
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.0041 0.0041
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0025 0.002 0.002
Brugia malayi beta-lactamase 0.0039 0.0038 0.0039
Giardia lamblia Sgs1 DNA helicase, putative 0.0014 0.0005 0.0026
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0033 0.0029 0.0029
Plasmodium falciparum carbamoyl phosphate synthetase 0.0645 0.0848 0.1172
Entamoeba histolytica hypothetical protein 0.0034 0.0031 0.0122
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.1015 0.1343 0.217
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0262 0.0336 0.0336
Schistosoma mansoni aldehyde dehydrogenase 0.0055 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0016 0.0008 0.0007
Leishmania major mitochondrial DNA polymerase beta 0.0232 0.0296 0.0296
Entamoeba histolytica acyl-coA synthetase, putative 0.0021 0.0014 0.0023
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.1015 0.1343 0.3509
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2852 0.38 0.38
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0262 0.0336 0.0543
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0008 0.0007
Onchocerca volvulus 0.0039 0.0038 0.0946
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0262 0.0336 0.0464
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0011 0.001
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0021 0.0014 0.0036
Toxoplasma gondii hypothetical protein 0.0037 0.0036 0.0035
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0031 0.0027 0.0036
Onchocerca volvulus 0.0039 0.0038 0.0946
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0024 0.0017 0.0023
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0036 0.0034 0.0033
Schistosoma mansoni hypothetical protein 0.0036 0.0033 0.0033
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0033 0.0029 0.0047
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0016 0.0007 0.0003
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1015 0.1343 0.1342
Echinococcus granulosus geminin 0.029 0.0373 0.0373
Schistosoma mansoni hypothetical protein 0.0016 0.0008 0.0008
Chlamydia trachomatis acetyl-CoA carboxylase biotin carboxyl carrier protein 0.0262 0.0336 0.0957
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.1015 0.1343 0.3532
Echinococcus granulosus microtubule associated protein 2 0.0531 0.0696 0.0696
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0036 0.0034 0.0034
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0262 0.0336 0.0543
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0014 0.0036
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0262 0.0336 0.0336
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.2852 0.38 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0041 0.0041
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0262 0.0336 0.0348
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0232 0.0296 0.0296
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0014 0.0022
Brugia malayi hypothetical protein 0.0015 0.0006 0.0006
Entamoeba histolytica hypothetical protein 0.0034 0.0031 0.0122
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0262 0.0336 0.0348
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0019 0.0018
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2852 0.38 0.6143
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.0071 0.0073
Brugia malayi beta-lactamase family protein 0.0039 0.0038 0.0039
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.0041 0.0041
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0038 0.0039
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0645 0.0848 0.0847
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0036 0.0034 0.0903
Brugia malayi hypothetical protein 0.0143 0.0178 0.0183
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0262 0.0336 0.0348
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0026 0.0021 0.0021
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0262 0.0336 0.0336
Leishmania major DNA polymerase eta, putative 0.0039 0.0038 0.0037
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.0041 0.0041
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.011 0.0133 0.0132
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.1015 0.1343 0.1342
Schistosoma mansoni hypothetical protein 0.0034 0.0031 0.0031
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0014 0.0005 0.0006
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1277 0.1693 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0014 0.0036
Leishmania major carbamoyl-phosphate synthase, putative 0.0645 0.0848 0.0847
Mycobacterium tuberculosis Conserved protein 0.0039 0.0038 0.0085
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0055 0.0059 0.0141
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0014 0.0036
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0038 0.0085
Trypanosoma brucei unspecified product 0.0025 0.0019 0.0018
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0184 0.0232 0.024
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Entamoeba histolytica hypothetical protein 0.0034 0.0031 0.0122
Loa Loa (eye worm) hypothetical protein 0.0039 0.0038 0.0039
Brugia malayi Muscleblind-like protein 0.0256 0.0327 0.0339
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0038 0.1081
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0019 0.0018
Loa Loa (eye worm) hypothetical protein 0.0021 0.0014 0.0014
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.2852 0.38 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0018 0.0024
Loa Loa (eye worm) RecQ helicase 0.0035 0.0032 0.0033
Trichomonas vaginalis DNA helicase recq, putative 0.0035 0.0032 0.0849
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1015 0.1343 0.217
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0262 0.0336 0.0336
Echinococcus granulosus dna polymerase eta 0.0064 0.0071 0.0071
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0038 0.0085
Mycobacterium ulcerans lipase LipD 0.0039 0.0038 0.0099
Echinococcus granulosus GPCR family 2 0.0016 0.0008 0.0008
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0033 0.0029 0.0047
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0232 0.0296 0.0478
Leishmania major 4-coumarate:coa ligase-like protein 0.0021 0.0014 0.0014
Mycobacterium tuberculosis Conserved protein 0.0039 0.0038 0.0085
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0026 0.0021 0.0021
Schistosoma mansoni aspartate carbamoyltransferase 0.0645 0.0848 0.0848
Leishmania major 4-coumarate:coa ligase-like protein 0.0021 0.0014 0.0014
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0038 0.0099
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0262 0.0336 0.0543
Loa Loa (eye worm) hypothetical protein 0.0036 0.0033 0.0034
Brugia malayi Pre-SET motif family protein 0.0026 0.0021 0.0021
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.7225 0.9649 1
Giardia lamblia DINP protein human, muc B family 0.0036 0.0034 0.0196
Leishmania major carboxylase, putative 0.2852 0.38 0.38
Plasmodium falciparum acyl-CoA synthetase 0.0016 0.0007 0.0009
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.1015 0.1343 0.3509
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0262 0.0336 0.0336
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0034 0.0033
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0014 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0143 0.0178 0.0183
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0026 0.0021 0.0021
Entamoeba histolytica deoxycytidyl transferase, putative 0.0036 0.0034 0.0137
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0038 0.0038
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0262 0.0336 0.0871
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.0034 0.0054
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0041 0.0041 0.0042
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0262 0.0336 0.0336
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0055 0.0057
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0645 0.0848 0.0848
Schistosoma mansoni hypothetical protein 0.0016 0.0008 0.0008
Mycobacterium leprae Probable lipase LipE 0.0039 0.0038 0.0063
Schistosoma mansoni hypothetical protein 0.0016 0.0008 0.0008
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0251 0.0322 0.0832
Brugia malayi Bloom's syndrome protein homolog 0.0035 0.0032 0.0033
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0262 0.0336 0.0336
Schistosoma mansoni microtubule-associated protein tau 0.0531 0.0696 0.0696
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0262 0.0336 0.0851
Loa Loa (eye worm) MH2 domain-containing protein 0.0092 0.0108 0.0112
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0034 0.0033
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1277 0.1693 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0026 0.0021 0.002
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Mycobacterium tuberculosis Conserved hypothetical protein 0.0036 0.0034 0.0073
Echinococcus granulosus dna polymerase kappa 0.0036 0.0034 0.0034
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.1015 0.1343 0.1343
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.0059 0.0155
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0262 0.0336 0.0871
Echinococcus granulosus bloom syndrome protein 0.0035 0.0032 0.0032
Brugia malayi beta-lactamase family protein 0.0039 0.0038 0.0039
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0645 0.0848 0.1476
Trypanosoma brucei unspecified product 0.0025 0.0019 0.0018
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0041 0.0041 0.0042
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0014 0.0014
Echinococcus multilocularis geminin 0.029 0.0373 0.0373
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.1015 0.1343 0.2905
Toxoplasma gondii aldehyde dehydrogenase 0.0055 0.0059 0.0059
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0262 0.0336 0.0336
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0021 0.0014 0.0036
Toxoplasma gondii pyruvate carboxylase 0.2852 0.38 0.38
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0262 0.0336 0.0336
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0008 0.0008
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0018 0.0024
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.2852 0.38 0.38
Trichomonas vaginalis esterase, putative 0.0039 0.0038 0.1081
Loa Loa (eye worm) hypothetical protein 0.0106 0.0127 0.0132
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0262 0.0336 0.0336
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0645 0.0848 0.1172
Leishmania major hypothetical protein, conserved 0.0024 0.0018 0.0017
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.1015 0.1343 0.3532
Schistosoma mansoni DNA helicase recq5 0.0014 0.0005 0.0005
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0038 0.0085
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0262 0.0336 0.0336
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.2852 0.38 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.0038 0.0099
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.2852 0.38 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1015 0.1343 0.1342
Mycobacterium ulcerans beta-lactamase 0.0039 0.0038 0.0099
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0262 0.0336 0.0543
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0008 0.0008
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0055 0.0059 0.0059
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0018 0.0024
Trichomonas vaginalis DNA helicase recq1, putative 0.0035 0.0032 0.0849
Trypanosoma brucei unspecified product 0.0036 0.0034 0.0033
Onchocerca volvulus 0.0026 0.0021 0.0264
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0645 0.0848 0.137
Loa Loa (eye worm) hypothetical protein 0.0052 0.0055 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0011 0.001
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0262 0.0336 0.0957
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0026 0.0021 0.0021
Leishmania major propionyl-coa carboxylase beta chain, putative 0.1015 0.1343 0.1342
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0038 0.0061
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0262 0.0336 0.0336
Trichomonas vaginalis set domain proteins, putative 0.021 0.0266 1
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.1015 0.1343 0.3523
Brugia malayi hypothetical protein 0.0034 0.0031 0.0032
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0034 0.0031 0.0031
Brugia malayi ImpB/MucB/SamB family protein 0.0036 0.0034 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.0034 0.0054
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0014 0.0036
Schistosoma mansoni DNA polymerase eta 0.0064 0.0071 0.0071
Mycobacterium ulcerans pyruvate carboxylase 0.2852 0.38 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0034 0.0033
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0207 0.0262 0.0271
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0021 0.0014 0.0036
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0036 0.0034 0.0034
Leishmania major hypothetical protein, conserved 0.0039 0.0038 0.0038

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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