Detailed information for compound 1263043

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1496.57 | Formula: C69H81N11O23S2
  • H donors: 14 H acceptors: 21 LogP: -0.73 Rotable bonds: 52
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC[C@@]1(OC(=O)OCCSSC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@@H](C(=O)O)CCC(=O)O)N)CC(=O)O)Cc2cc3c4nc5ccccc5cc4Cn3c(=O)c2OC1=O
  • InChi: 1S/C69H81N11O23S2/c1-2-69(34-41-32-51-56-42(31-40-19-12-13-20-44(40)74-56)36-80(51)62(91)57(41)102-66(69)98)103-68(100)101-27-28-104-105-37-50(65(96)97)77-61(90)49(33-55(85)86)75-58(87)43(70)35-72-59(88)47(29-38-15-7-5-8-16-38)76-60(89)48(30-39-17-9-6-10-18-39)73-53(82)21-11-3-4-14-26-71-52(81)24-22-45(63(92)93)78-67(99)79-46(64(94)95)23-25-54(83)84/h5-10,12-13,15-20,31-32,43,45-50H,2-4,11,14,21-30,33-37,70H2,1H3,(H,71,81)(H,72,88)(H,73,82)(H,75,87)(H,76,89)(H,77,90)(H,83,84)(H,85,86)(H,92,93)(H,94,95)(H,96,97)(H2,78,79,99)/t43-,45-,46+,47-,48-,49-,50-,69+/m0/s1
  • InChiKey: AQPYCABMJGERQE-GIJUCCMBSA-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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0146 0.2812
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0057 0.4871
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.005 0.0418
Schistosoma mansoni hypothetical protein 0.0165 0.028 0.2348
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.002 0.0376
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.002 0.0589
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0146 0.1224
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0017 0.0016 0.0007
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0017 0.0287
Echinococcus granulosus geminin 0.0165 0.028 0.2348
Brugia malayi AMP-binding enzyme family protein 0.0024 0.003 0.0657
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0372
Echinococcus granulosus snurportin 1 0.03 0.0519 0.4354
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0043 0.0361
Onchocerca volvulus Bifunctional polynucleotide phosphatase\/kinase homolog 0.0068 0.0108 0.5447
Plasmodium vivax phosphatase, putative 0.0068 0.0108 1
Entamoeba histolytica hypothetical protein 0.0035 0.005 0.3417
Loa Loa (eye worm) hypothetical protein 0.0032 0.0043 0.0829
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0002 0.0046
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.003 0.1799
Schistosoma mansoni ap endonuclease 0.0018 0.002 0.0164
Schistosoma mansoni smad1 5 8 and 0.0016 0.0016 0.0135
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0014 0.0014
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0146 0.0146
Mycobacterium ulcerans hypothetical protein 0.0024 0.003 0.0048
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.003 0.0048
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0027 0.1395
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.005 0.0238
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.002 0.0164
Entamoeba histolytica hypothetical protein 0.0035 0.005 0.3417
Brugia malayi STAT protein, DNA binding domain containing protein 0.0129 0.0217 0.4716
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.0206 0.0662
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.002 0.0553
Schistosoma mansoni ferritin light chain 0.0017 0.0016 0.0138
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.0184 0.0586
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0002 0.0048
Brugia malayi hypothetical protein 0.0119 0.0199 0.4326
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.005 0.0418
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.002 0.0553
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0014 0.0312
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0073 0.0614
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0017 0.0287
Mycobacterium tuberculosis Probable reductase 0.0111 0.0184 0.0586
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0043 0.0936
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0017 0.0094
Echinococcus multilocularis tar DNA binding protein 0.0127 0.0212 0.0212
Schistosoma mansoni smad1 5 8 and 0.0016 0.0016 0.0135
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0002 0.0002
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0027 0.0247
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0017 0.0287
Echinococcus multilocularis microtubule associated protein 2 0.0679 0.1193 0.1193
Schistosoma mansoni microtubule-associated protein tau 0.0679 0.1193 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0027 0.0247
Schistosoma mansoni Smad4 0.0016 0.0016 0.0135
Brugia malayi hypothetical protein 0.0016 0.0015 0.033
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0057 0.4871
Echinococcus granulosus neuropeptide s receptor 0.0455 0.0795 0.6665
Loa Loa (eye worm) inositol-1 0.004 0.0057 0.1104
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0017 0.027
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0212 0.1778
Brugia malayi MH2 domain containing protein 0.0016 0.0016 0.0349
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0017 0.0001
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0016 0.0016
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0014 0.012
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.002 0.0018
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0037 0.2553
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0043 0.0361
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0017 0.0009
Brugia malayi MH2 domain containing protein 0.0016 0.0016 0.0349
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.003 0.1799
Toxoplasma gondii thioredoxin reductase 0.0049 0.0073 0.6664
Loa Loa (eye worm) glutaminase 0.0266 0.046 0.8853
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0017 0.0001
Leishmania major trypanothione reductase 0.0049 0.0073 0.6664
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0146 0.1224
Brugia malayi MH2 domain containing protein 0.024 0.0413 0.8987
Loa Loa (eye worm) hypothetical protein 0.0028 0.0037 0.071
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0057 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.003 0.0048
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.0184 0.0586
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0014 0.012
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0019 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0017 0.027
Brugia malayi glutaminase DH11.1 0.0266 0.046 1
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0103 1
Echinococcus multilocularis snurportin 1 0.03 0.0519 0.0519
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0017 0.0017
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.005 0.0123
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.003 0.1799
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0017 0.0009
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0024 0.0998
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0031 0.1731
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0037 0.0706
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0016 0.0135
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.002 0.0553
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0073 0.0204
Schistosoma mansoni ap endonuclease 0.0018 0.002 0.0164
Echinococcus granulosus microtubule associated protein 2 0.0679 0.1193 1
Schistosoma mansoni hypothetical protein 0.0068 0.0108 0.0906
Loa Loa (eye worm) Smad1 0.0016 0.0016 0.0309
Loa Loa (eye worm) STAT protein 0.0129 0.0217 0.4175
Brugia malayi MH1 domain containing protein 0.0009 0.0003 0.0067
Schistosoma mansoni hypothetical protein 0.0032 0.0043 0.0361
Echinococcus granulosus GPCR family 2 0.0032 0.0043 0.0361
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0024 0.0199
Echinococcus multilocularis cpg binding protein 0.003 0.004 0.004
Schistosoma mansoni cpg binding protein 0.003 0.004 0.0331
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0017 0.0016 0.0007
Schistosoma mansoni hypothetical protein 0.0032 0.0043 0.0361
Schistosoma mansoni hypothetical protein 0.0165 0.028 0.2348
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0009 0.0195
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.003 0.1203
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0103 0.0298
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0017 0.0142
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0043 0.0043
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0016 0.0309
Schistosoma mansoni inositol monophosphatase 0.004 0.0057 0.0481
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0111 0.0184 0.1186
Entamoeba histolytica hypothetical protein 0.0035 0.005 0.3417
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0103 0.0103
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0164 0.3159
Schistosoma mansoni cpg binding protein 0.003 0.004 0.0331
Brugia malayi isocitrate dehydrogenase 0.0015 0.0014 0.0312
Schistosoma mansoni apoferritin-2 0.0017 0.0016 0.0138
Plasmodium falciparum importin beta, putative 0.0028 0.0037 0.2399
Brugia malayi hypothetical protein 0.0035 0.005 0.1085
Trypanosoma brucei polynucleotide kinase 3'-phosphatase, putative 0.0068 0.0108 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.002 0.0069
Onchocerca volvulus Huntingtin homolog 0.0119 0.0199 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0017 0.027
Treponema pallidum NADH oxidase 0.0017 0.0017 0.1266
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.002 0.002
Brugia malayi glutathione reductase 0.0049 0.0073 0.1592
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0017 0.027
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.003 0.0055
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0009 0.0195
Trypanosoma brucei trypanothione reductase 0.0049 0.0073 0.6262
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0024 0.0998
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0018 0.0011
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0018 0.0011
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0212 0.1778
Echinococcus multilocularis bifunctional polynucleotide 0.0068 0.0108 0.0108
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0017 0.027
Trypanosoma cruzi polynucleotide kinase 3'-phosphatase, putative 0.0068 0.0108 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0057 0.0922
Loa Loa (eye worm) transcription factor SMAD2 0.024 0.0413 0.7955
Brugia malayi DNA 3'-phosphatase family protein 0.0068 0.0108 0.2356
Plasmodium falciparum thioredoxin reductase 0.0049 0.0073 0.6261
Schistosoma mansoni ran 0.0021 0.0024 0.0199
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0017 0.027
Brugia malayi RNA, U transporter 1 0.008 0.0129 0.2802
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0103 0.0861
Brugia malayi RNA binding protein 0.0127 0.0212 0.4611
Trypanosoma cruzi polynucleotide kinase 3'-phosphatase, putative 0.0068 0.0108 1
Echinococcus granulosus bifunctional polynucleotide 0.0068 0.0108 0.0908
Schistosoma mansoni smad1 5 8 and 0.0016 0.0016 0.0135
Toxoplasma gondii exonuclease III APE 0.0018 0.002 0.0589
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0057 0.4577
Echinococcus multilocularis tumor protein p63 0.0332 0.0577 0.0577
Echinococcus multilocularis Smad4 0.0016 0.0016 0.0016
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0212 0.1778
Loa Loa (eye worm) hypothetical protein 0.0119 0.0199 0.383
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0017 0.027
Brugia malayi hypothetical protein 0.0025 0.0031 0.0666
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0043 0.0829
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0372
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.003 0.1203
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.002 0.0553
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0017 0.0142
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0081 0.7562
Loa Loa (eye worm) hypothetical protein 0.0068 0.0108 0.2086
Onchocerca volvulus 0.0028 0.0037 0.1845
Brugia malayi MH1 domain containing protein 0.0016 0.0016 0.0349
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.002 0.0011
Echinococcus granulosus expressed protein 0.0017 0.0016 0.0138
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0057 0.0922
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.002 0.0746
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0073 0.0073
Schistosoma mansoni ferritin 0.0017 0.0016 0.0138
Leishmania major GTP-binding protein, putative 0.0021 0.0024 0.1062
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0007 0.0055
Trichomonas vaginalis ran, putative 0.0021 0.0024 0.0163
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0017 0.027
Schistosoma mansoni cpg binding protein 0.0028 0.0037 0.0308
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0017 0.0287
Echinococcus multilocularis GPCR, family 2 0.0032 0.0043 0.0043
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0031 0.1731
Schistosoma mansoni hypothetical protein 0.0032 0.0043 0.0361
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0103 0.0298
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0017 0.0287
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0016 0.0016
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.003 0.0048
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0372
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0024 0.0998
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.003 0.0048
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0031 0.1731
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0019 0.001
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0037 0.2399
Mycobacterium ulcerans glutaminase 0.0266 0.046 0.1535
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0164 0.3569
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0014 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0146 0.1224
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.0212 0.4082
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.005 0.005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0146 0.1224
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0372
Brugia malayi CXXC zinc finger family protein 0.0028 0.0037 0.0798
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0073 0.1409
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0024 0.0998
Entamoeba histolytica Ran family GTPase 0.0021 0.0024 0.047
Schistosoma mansoni hypothetical protein 0.0032 0.0043 0.0361
Plasmodium vivax importin-beta 2, putative 0.0028 0.0037 0.2399
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0014 0.0014
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0002 0.002
Brugia malayi MH1 domain containing protein 0.0009 0.0003 0.0067
Brugia malayi Inositol-1 0.004 0.0057 0.1248
Loa Loa (eye worm) RNA binding protein 0.0127 0.0212 0.4082
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0073 0.6261
Trichomonas vaginalis glutaminase, putative 0.0266 0.046 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0016 0.0135
Leishmania major hypothetical protein, conserved 0.0025 0.0031 0.1842
Brugia malayi Thioredoxin reductase 0.0049 0.0073 0.1592
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0037 0.0037
Echinococcus granulosus ferritin 0.0017 0.0016 0.0138
Schistosoma mansoni importin beta-1 0.0028 0.0037 0.0309
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0017 0.027
Loa Loa (eye worm) TAR-binding protein 0.0127 0.0212 0.4082
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.003 0.0097
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0017 0.0009
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0024 0.0457
Schistosoma mansoni polynucleotide kinase-3'-phosphatase 0.0068 0.0108 0.0908
Echinococcus granulosus cpg binding protein 0.003 0.004 0.0331
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0103 0.0298
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0037 0.2399
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.003 0.1203
Loa Loa (eye worm) hypothetical protein 0.0068 0.0108 0.2081
Echinococcus multilocularis neuropeptide s receptor 0.0455 0.0795 0.0795
Loa Loa (eye worm) glutaminase 2 0.0266 0.046 0.8853
Plasmodium vivax bifunctional polynucleotide phosphatase/kinase, putative 0.0068 0.0108 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.002 0.0069
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0024 1
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0057 0.0057
Entamoeba histolytica hypothetical protein 0.0035 0.005 0.3417
Schistosoma mansoni ran 0.0021 0.0024 0.0199
Schistosoma mansoni ferritin 0.0017 0.0016 0.0138
Onchocerca volvulus 0.0024 0.003 0.152
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0372
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0017 0.0001
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0073 0.0616
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0057 0.4577
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.002 0.0425
Loa Loa (eye worm) MH2 domain-containing protein 0.024 0.0413 0.7955
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0092 0.0774
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.0206 0.0662
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0014 0.0014
Brugia malayi AMP-binding enzyme family protein 0.0024 0.003 0.0657
Mycobacterium tuberculosis Probable imidazole glycerol-phosphate dehydratase HisB 0.1642 0.2904 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0024 0.003 0.0582
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.0206 0.0662
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0057 0.0922
Plasmodium falciparum glutathione reductase 0.0049 0.0073 0.6261
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0031 0.1731
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0031 0.1842
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0108 1
Schistosoma mansoni ferritin light chain 0.0017 0.0016 0.0138
Echinococcus multilocularis geminin 0.0165 0.028 0.028
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0017 0.0287
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0057 0.4577
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0108 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.003 0.0048
Echinococcus granulosus Smad4 0.0016 0.0016 0.0135
Echinococcus multilocularis neuropeptide receptor A26 0.0455 0.0795 0.0795
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.0212 0.4611
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.002 0.3894
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0019 0.0528
Schistosoma mansoni apoferritin-2 0.0017 0.0016 0.0138
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0024 0.1062
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.003 0.0055
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0017 0.027
Loa Loa (eye worm) hypothetical protein 0.0049 0.0073 0.1414
Echinococcus multilocularis ferritin 0.0017 0.0016 0.0016
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0031 0.1731
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0057 0.0481
Loa Loa (eye worm) hypothetical protein 0.0024 0.003 0.0582
Brugia malayi MH1 domain containing protein 0.0016 0.0016 0.0349
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.0184 0.0586
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0017 0.027
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0017 0.027
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.003 0.0097
Mycobacterium leprae Probable imidazole glycerol-phosphate dehydratase HisB 0.081 0.1426 1
Brugia malayi TAR-binding protein 0.0127 0.0212 0.4611
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0016 0.0309
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0014 0.0276
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0017 0.0094
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0017 0.027
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0024 0.0024
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0017 0.0367
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0212 0.1778
Onchocerca volvulus Huntingtin homolog 0.0119 0.0199 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.002 1
Echinococcus multilocularis expressed protein 0.0017 0.0016 0.0016
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0108 0.235
Leishmania major importin beta-1 subunit, putative 0.0023 0.0027 0.1485
Schistosoma mansoni ferritin 0.0017 0.0016 0.0138
Brugia malayi AMP-binding enzyme family protein 0.0024 0.003 0.0657
Entamoeba histolytica hypothetical protein 0.0023 0.0027 0.0891
Echinococcus multilocularis smad 0.0016 0.0016 0.0016
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0103 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0016 0.0135
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0164 0.3569
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0103 0.0306
Loa Loa (eye worm) hypothetical protein 0.0009 0.0003 0.0059
Loa Loa (eye worm) hypothetical protein 0.0024 0.003 0.0582
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0212 0.1778
Schistosoma mansoni smad 0.0016 0.0016 0.0135
Plasmodium falciparum thioredoxin reductase 0.0017 0.0017 0.027
Echinococcus granulosus tumor protein p63 0.0332 0.0577 0.4841
Echinococcus granulosus tar DNA binding protein 0.0127 0.0212 0.1778
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0146 0.0146
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.003 0.0048
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0057 0.4259
Entamoeba histolytica polynucleotide kinase-3-phosphatase, putative 0.0068 0.0108 1
Plasmodium vivax glutathione reductase, putative 0.0049 0.0073 0.6261
Schistosoma mansoni hypothetical protein 0.0035 0.005 0.0418
Plasmodium falciparum phosphatase, putative 0.0068 0.0108 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0024 0.0516
Schistosoma mansoni hypothetical protein 0.03 0.0519 0.4354
Brugia malayi Importin beta-1 subunit 0.0028 0.0037 0.0802
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0014 0.0014
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0027 0.0247
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0017 0.027
Echinococcus granulosus importin subunit beta 1 0.0028 0.0037 0.0309
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0017 0.027
Plasmodium falciparum bifunctional polynucleotide phosphatase/kinase 0.0068 0.0108 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0024 0.0998
Plasmodium falciparum glutathione reductase 0.0017 0.0017 0.027
Echinococcus granulosus neuropeptide receptor A26 0.0455 0.0795 0.6665
Brugia malayi Smad1 0.0016 0.0016 0.0349
Mycobacterium ulcerans imidazoleglycerol-phosphate dehydratase 0.1642 0.2904 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.0199 0.383
Schistosoma mansoni hypothetical protein 0.0011 0.0007 0.0055
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0589
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.003 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0146 0.1224
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0017 0.027
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0146 0.3177
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0019 0.0017
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0018 0.0011
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0007 0.0007
Echinococcus granulosus smad 0.0016 0.0016 0.0135
Loa Loa (eye worm) hypothetical protein 0.01 0.0164 0.3159
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0018 0.0011
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0043 0.0936
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0017 0.027
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0103 0.0861
Loa Loa (eye worm) glutathione reductase 0.0049 0.0073 0.1409
Schistosoma mansoni inositol monophosphatase 0.004 0.0057 0.0481
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.002 0.0553
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.0206 0.1342
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0103 0.0861
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0057 0.0142
Schistosoma mansoni ferritin 0.0017 0.0016 0.0138
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.03 0.0519 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.0184 0.0586
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.0184 0.0586
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0031 0.1731
Loa Loa (eye worm) nuclear factor I 0.0009 0.0003 0.0059
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0019 0.0528
Schistosoma mansoni glutaminase 0.0266 0.046 0.3855
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0073 0.6262
Onchocerca volvulus 0.0049 0.0073 0.3692

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 115 nM Cytotoxicity against human LNCAP cells after 2 hrs by [3H]thymidine incorporation assay ChEMBL. 20936874
RBA (binding) = 7 % Displacement of DUPA-99mTc from human prostate-specific membrane antigen in LNCaP cells assessed as relative binding affinity after 2 hrs at 37 degC ChEMBL. 20936874

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20936874

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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