Detailed information for compound 1836261

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 729.872 | Formula: C40H56FNO10
  • H donors: 1 H acceptors: 1 LogP: 8.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Nc1ccc(c(c1)C)F)O[C@H]([C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
  • InChi: 1S/C40H56FNO10/c1-20-8-11-28-23(4)31(44-34-39(28)26(20)14-16-37(6,47-34)49-51-39)19-32(45-36(43)42-25-10-13-30(41)22(3)18-25)33-24(5)29-12-9-21(2)27-15-17-38(7)48-35(46-33)40(27,29)52-50-38/h10,13,18,20-21,23-24,26-29,31-35H,8-9,11-12,14-17,19H2,1-7H3,(H,42,43)/t20-,21-,23-,24-,26+,27+,28+,29+,31-,32+,33+,34-,35-,37-,38-,39-,40-/m1/s1
  • InChiKey: CJPNBVARDJQXKQ-UEOGGFIQSA-N  


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
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0051 0.0164 0.016
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0179 0.0256
Mycobacterium tuberculosis Conserved protein 0.0075 0.0278 0.0701
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.0179 0.0059
Onchocerca volvulus 0.0054 0.0179 0.042
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0559 0.261 0.3735
Plasmodium vivax SET domain protein, putative 0.0069 0.025 0.0396
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0051 0.0164 0.0235
Chlamydia trachomatis dihydrolipoamide acetyltransferase 0.0051 0.0164 0.023
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0199 0.0875 0.2905
Echinococcus multilocularis Biotin lipoyl attachment 0.0051 0.0164 0.0155
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0199 0.0875 0.0866
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0089 0.0343 0.0334
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0051 0.0164 0.0185
Brugia malayi beta-lactamase 0.0075 0.0278 0.0354
Loa Loa (eye worm) hypothetical protein 0.0075 0.0278 0.0371
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0179 0.1175
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0051 0.0164 0.016
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0172 0.0747 0.0747
Loa Loa (eye worm) hypothetical protein 0.005 0.0159 0.0193
Loa Loa (eye worm) hypothetical protein 0.0041 0.0113 0.0124
Mycobacterium ulcerans hypothetical protein 0.0054 0.0179 0.0265
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0126 0.0525 0.0752
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0278 0.0903
Onchocerca volvulus 0.0075 0.0278 0.0821
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0559 0.261 0.6078
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0112 0.0103
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0107 0.0431 0.0584
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0278 0.0647
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0559 0.261 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0113 0.0124
Brugia malayi acetyltransferase, GNAT family protein 0.0172 0.0747 0.1055
Brugia malayi Carboxyl transferase domain containing protein 0.1416 0.6741 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0199 0.0875 0.3052
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0278 0.0903
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0199 0.0875 0.1252
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0028 0.0053 0.0124
Leishmania major carboxylase, putative 0.0559 0.261 0.3735
Plasmodium falciparum acyl-CoA synthetase 0.0041 0.0113 0.0119
Toxoplasma gondii histone lysine methyltransferase SET1 0.0073 0.0267 0.0308
Mycobacterium ulcerans pyruvate carboxylase 0.0559 0.261 1
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0278 0.0701
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0069 0.025 0.025
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.0137 0.0784
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0199 0.0875 0.3052
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.025 0.1123 1
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0199 0.0875 0.2905
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0559 0.261 0.2603
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0138 0.0128
Loa Loa (eye worm) hypothetical protein 0.0054 0.0178 0.0222
Schistosoma mansoni cpg binding protein 0.0038 0.0097 0.0097
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0128 0.0128
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0051 0.0164 0.0155
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0199 0.0875 0.2037
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0053 0.017 0.0168
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0053 0.017 0.0168
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0172 0.0747 0.0738
Loa Loa (eye worm) acetyltransferase 0.0172 0.0747 0.107
Echinococcus granulosus histone lysine methyltransferase setb 0.0089 0.0343 0.0334
Giardia lamblia PHD finger protein 15 0.0033 0.0075 0.0208
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0278 0.0371
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0051 0.0164 0.0164
Toxoplasma gondii ABC1 family protein 0.0075 0.0278 0.0324
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0051 0.0164 0.0185
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0559 0.261 0.261
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0075 0.0069
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0051 0.0164 0.023
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0049 0.0049
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.0277 0.0277
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0126 0.0525 0.1653
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0112 0.0103
Brugia malayi Pre-SET motif family protein 0.0069 0.025 0.0313
Loa Loa (eye worm) beta-lactamase 0.0075 0.0278 0.0371
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0199 0.0875 0.3082
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.0179 0.0265
Loa Loa (eye worm) hypothetical protein 0.0054 0.0179 0.0223
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0066 0.0235 0.0225
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0054 0.0179 0.0265
Onchocerca volvulus 0.0069 0.025 0.071
Loa Loa (eye worm) hypothetical protein 0.0033 0.0075 0.0069
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0199 0.0875 0.3052
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1468 0.6988 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0179 0.0265
Echinococcus granulosus histone acetyltransferase KAT2B 0.0165 0.0711 0.0702
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0559 0.261 1
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0075 0.0045
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0075 0.0075
Brugia malayi beta-lactamase family protein 0.0075 0.0278 0.0354
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0107 0.0431 0.0599
Echinococcus granulosus zinc finger protein 0.0028 0.0053 0.0043
Loa Loa (eye worm) hypothetical protein 0.0051 0.0164 0.0202
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0278 0.0278
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.0137 0.0784
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0245 0.0321
Plasmodium vivax acyl-CoA synthetase, putative 0.0041 0.0113 0.0119
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0051 0.0164 0.0383
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0126 0.0525 0.1224
Brugia malayi jmjC domain containing protein 0.0108 0.0437 0.0592
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0278 0.0268
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0278 0.0903
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0053 0.0053
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0199 0.0875 0.0866
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0126 0.0525 0.0948
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0559 0.261 0.2603
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0054 0.0179 0.0307
Mycobacterium leprae Probable lipase LipE 0.0075 0.0278 0.0464
Trichomonas vaginalis set domain proteins, putative 0.0545 0.254 1
Schistosoma mansoni cpg binding protein 0.0038 0.0097 0.0097
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0278 0.0661
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.0277 0.0268
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0559 0.261 0.6078
Brugia malayi Bromodomain containing protein 0.004 0.0108 0.0102
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0053 0.017 0.0234
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0199 0.0875 0.1252
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.001 0.001
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0199 0.0875 0.1252
Brugia malayi Bromodomain containing protein 0.0091 0.0354 0.0469
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0051 0.0164 0.0249
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0107 0.0431 0.0431
Echinococcus granulosus peregrin 0.004 0.0108 0.0099
Echinococcus multilocularis peregrin 0.004 0.0108 0.0099
Schistosoma mansoni zinc finger protein 0.0028 0.0053 0.0053
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0179 0.0256
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0051 0.0164 0.0155
Loa Loa (eye worm) hypothetical protein 0.0075 0.0278 0.0371
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0199 0.0875 0.2037
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.0179 0.1175
Loa Loa (eye worm) hypothetical protein 0.0051 0.0164 0.0202
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0107 0.0431 0.0422
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0559 0.261 0.261
Leishmania major acetyl-CoA carboxylase, putative 0.1468 0.6988 1
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0051 0.0164 0.0164
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0051 0.0164 0.0223
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0179 0.0207
Plasmodium falciparum phd finger protein, putative 0.0033 0.0075 0.0045
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0051 0.0164 0.016
Mycobacterium ulcerans hypothetical protein 0.0051 0.0164 0.0207
Entamoeba histolytica acyl-coA synthetase, putative 0.0054 0.0179 0.1175
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0051 0.0164 0.0383
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0179 0.0265
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0051 0.0164 0.0155
Chlamydia trachomatis acetyl-CoA carboxylase biotin carboxyl carrier protein 0.0051 0.0164 0.023
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0179 0.0207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0107 0.0431 0.0431
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0559 0.261 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0078 0.0073
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.0137 0.0168
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0278 0.0701
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0028 0.0053 0.0076
Brugia malayi CXXC zinc finger family protein 0.0033 0.0078 0.0056
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0278 0.0268
Onchocerca volvulus 0.0075 0.0278 0.0821
Schistosoma mansoni cpg binding protein 0.0033 0.0078 0.0078
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0075 0.0032
Onchocerca volvulus 0.0033 0.0078 0.001
Echinococcus granulosus Biotin lipoyl attachment 0.0051 0.0164 0.0155
Trypanosoma brucei unspecified product 0.0368 0.1688 0.2415
Trypanosoma brucei acetyl-CoA carboxylase 0.1468 0.6988 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0053 0.0053
Toxoplasma gondii carbamoylphosphate synthetase 0.0126 0.0525 0.0681
Loa Loa (eye worm) hypothetical protein 0.0075 0.0278 0.0371
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0051 0.0164 0.016
Chlamydia trachomatis biotin carboxylase 0.0508 0.2363 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0278 0.0278
Entamoeba histolytica hypothetical protein 0.0075 0.0277 0.2097
Brugia malayi T-complex protein 1, beta subunit 0.0028 0.0053 0.0019
Loa Loa (eye worm) hypothetical protein 0.0041 0.0113 0.0124
Schistosoma mansoni hypothetical protein 0.0033 0.0075 0.0075
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0051 0.0164 0.0164
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.0128 0.0148
Onchocerca volvulus 0.0545 0.254 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0075 0.0032
Brugia malayi Bromodomain containing protein 0.0047 0.0145 0.0157
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0051 0.0164 0.0249
Loa Loa (eye worm) hypothetical protein 0.0075 0.0278 0.0371
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0559 0.261 1
Loa Loa (eye worm) bromodomain containing protein 0.0024 0.0033 0.0006
Schistosoma mansoni hypothetical protein 0.0023 0.0029 0.0029
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0479 0.2224 0.8459
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0199 0.0875 0.2037
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1468 0.6988 0.6986
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0343 0.0343
Entamoeba histolytica hypothetical protein 0.0075 0.0277 0.2097
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.0179 0.0265
Mycobacterium ulcerans hypothetical protein 0.0075 0.0278 0.0661
Schistosoma mansoni acetyl-CoA carboxylase 0.1468 0.6988 0.6988
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0069 0.025 0.0241
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.0437 0.0428
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0278 0.0661
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0278 0.0903
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0199 0.0875 0.2905
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.0437 0.0428
Brugia malayi AMP-binding enzyme family protein 0.0054 0.0179 0.0207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0107 0.0431 0.0431
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0559 0.261 0.3735
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0051 0.0164 0.0155
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.0271 0.0262
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.0271 0.0262
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0051 0.0164 0.0383
Trichomonas vaginalis bromodomain-containing protein, putative 0.0053 0.017 0.047
Echinococcus granulosus histone acetyltransferase KAT2B 0.0053 0.017 0.0161
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0278 0.0451
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0126 0.0525 0.1224
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0051 0.0164 0.0223
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0278 0.0701
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0049 0.0039
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1062 0.5034 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.0277 0.0268
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0028 0.0053 0.0044
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0054 0.0179 0.0307
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1468 0.6988 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0559 0.261 1
Entamoeba histolytica hypothetical protein 0.0075 0.0277 0.2097
Schistosoma mansoni jumonji domain containing protein 0.0086 0.033 0.033
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0138 0.0128
Brugia malayi PHD-finger family protein 0.0033 0.0075 0.0052
Echinococcus granulosus cpg binding protein 0.0038 0.0097 0.0088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0107 0.0431 0.0422
Loa Loa (eye worm) T-complex protein 1 0.0028 0.0053 0.0036
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0199 0.0875 0.1185
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0051 0.0164 0.0235
Loa Loa (eye worm) hypothetical protein 0.0043 0.0126 0.0144
Mycobacterium tuberculosis Conserved protein 0.0075 0.0278 0.0701
Loa Loa (eye worm) hypothetical protein 0.0054 0.0179 0.0223
Brugia malayi beta-lactamase family protein 0.0075 0.0278 0.0354
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0049 0.0039
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0051 0.0164 0.0235
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0051 0.0164 0.0383
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1062 0.5034 1
Toxoplasma gondii pyruvate carboxylase 0.0559 0.261 0.3687
Loa Loa (eye worm) hypothetical protein 0.008 0.0302 0.0407
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0199 0.0875 0.2905
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0559 0.261 0.3735
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0479 0.2222 0.3267
Echinococcus multilocularis zinc finger protein 0.0028 0.0053 0.0043
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0051 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0051 0.0164 0.0202
Treponema pallidum pyruvate carboxylase subunit B 0.0051 0.0164 0.5
Leishmania major T-complex protein 1, beta subunit, putative 0.0028 0.0053 0.0076
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0559 0.261 1
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.1468 0.6988 0.6986
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0051 0.0164 0.023
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0199 0.0875 0.0875
Loa Loa (eye worm) hypothetical protein 0.0075 0.0278 0.0371
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0051 0.0164 0.0235
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0051 0.0164 0.0223
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0199 0.0875 0.3052
Onchocerca volvulus 0.0075 0.0278 0.0821
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0051 0.0164 0.0249
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0041 0.0113 0.0043
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0073 0.0271 0.0271
Mycobacterium tuberculosis Conserved protein 0.0075 0.0278 0.0701
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.0179 0.0256
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0069 0.025 0.025
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0199 0.0875 0.3052
Plasmodium falciparum carbamoyl phosphate synthetase 0.0126 0.0525 0.0948
Schistosoma mansoni pyruvate carboxylase 0.0559 0.261 0.261
Brugia malayi jmjC domain containing protein 0.0044 0.0128 0.0132
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0278 0.0701
Brugia malayi Pre-SET motif family protein 0.0479 0.2222 0.3256
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.0179 0.0059
Mycobacterium ulcerans lipase LipD 0.0075 0.0278 0.0661
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0278 0.0701
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0051 0.0164 0.0223
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0199 0.0875 0.3082
Loa Loa (eye worm) hypothetical protein 0.0089 0.0343 0.0468
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0199 0.0875 0.3388
Schistosoma mansoni bromodomain containing protein 0.0078 0.0291 0.0291
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0278 0.0397
Brugia malayi T-complex protein 1, beta subunit 0.0028 0.0053 0.0019
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0051 0.0164 0.0235
Schistosoma mansoni aspartate carbamoyltransferase 0.0126 0.0525 0.0525
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0126 0.0525 0.1476
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0053 0.017 0.047
Trichomonas vaginalis esterase, putative 0.0075 0.0278 0.0903
Loa Loa (eye worm) hypothetical protein 0.0057 0.0189 0.0238
Brugia malayi hypothetical protein 0.0075 0.0277 0.0354
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0278 0.0701
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0051 0.0164 0.016
Entamoeba histolytica acetyl-coA carboxylase, putative 0.025 0.1123 1
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0109 0.0099
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0075 0.0066
Mycobacterium ulcerans beta-lactamase 0.0075 0.0278 0.0661
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0128 0.0128
Schistosoma mansoni hypothetical protein 0.0075 0.0277 0.0277
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0126 0.0525 0.0525
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0278 0.0354
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0051 0.0164 0.0235
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1416 0.6741 1
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0051 0.0164 0.0235
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0022 0.0021 0.0021
Leishmania major carbamoyl-phosphate synthase, putative 0.0126 0.0525 0.0752
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0051 0.0164 0.0383
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0054 0.0179 0.0265
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0051 0.0164 0.0185
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0028 0.0053 0.0044
Echinococcus multilocularis cpg binding protein 0.0038 0.0097 0.0088
Leishmania major hypothetical protein, conserved 0.0075 0.0278 0.0397
Loa Loa (eye worm) hypothetical protein 0.0041 0.0113 0.0124
Loa Loa (eye worm) hypothetical protein 0.0054 0.0179 0.0223
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0278 0.0647
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0278 0.0464
Loa Loa (eye worm) hypothetical protein 0.0041 0.0113 0.0124
Loa Loa (eye worm) hypothetical protein 0.0075 0.0278 0.0371
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0126 0.0525 0.0525
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0051 0.0164 0.0235
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0054 0.0179 0.0265
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0199 0.0875 0.3052
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0051 0.0164 0.0383
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0051 0.0164 0.0207
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0278 0.0903
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0051 0.0164 0.0383
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0075 0.0066
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0069 0.025 0.0284
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.0128 0.0119
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0051 0.0164 0.0223
Trypanosoma cruzi acetyl-CoA carboxylase 0.0909 0.4295 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0559 0.261 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.001 0.001
Brugia malayi PHD-finger family protein 0.0034 0.0082 0.0062
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0051 0.0164 0.0207
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0343 0.0343
Entamoeba histolytica hypothetical protein 0.0075 0.0277 0.2097
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0107 0.0431 0.0422
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0278 0.0701
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.0053 0.0053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0107 0.0431 0.0422

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) > 99.9 % Antimalarial activity against Plasmodium berghei ANKA infected in C57BL/6J mouse assessed as decrease of parasitemia level at 5 mg/kg, po administered after 24 hrs post infection measured after 3 days in presence of 15 mg/kg of mefloquine hydrochloride relative to control ChEMBL. 24508128

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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