Detailed information for compound 1847030

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2564.89 | Formula: C106H166N30O36S4
  • H donors: 35 H acceptors: 36 LogP: -13.1 Rotable bonds: 109
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CS)C)CCC(=O)O)CCC(=O)O)CS)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CCCNC(=N)N)Cc1ccccc1)CS)CCC(=O)O)CC(C)C)Cc1ccccc1)CS)CCC(=O)N
  • InChi: 1S/C106H166N30O36S4/c1-10-51(6)83(136-101(167)72(48-176)133-96(162)67(40-56-22-15-12-16-23-56)129-94(160)65(38-49(2)3)127-93(159)63(30-35-80(147)148)123-99(165)71(47-175)132-95(161)66(39-55-20-13-11-14-21-55)128-91(157)59(25-19-37-114-106(112)113)120-87(153)57(108)41-75(111)140)104(170)125-60(26-31-73(109)138)88(154)115-44-77(142)134-84(54(9)137)102(168)116-43-76(141)119-68(42-81(149)150)97(163)135-82(50(4)5)103(169)124-58(24-17-18-36-107)89(155)117-52(7)85(151)130-69(45-173)98(164)122-62(29-34-79(145)146)92(158)121-61(28-33-78(143)144)90(156)118-53(8)86(152)131-70(46-174)100(166)126-64(105(171)172)27-32-74(110)139/h11-16,20-23,49-54,57-72,82-84,137,173-176H,10,17-19,24-48,107-108H2,1-9H3,(H2,109,138)(H2,110,139)(H2,111,140)(H,115,154)(H,116,168)(H,117,155)(H,118,156)(H,119,141)(H,120,153)(H,121,158)(H,122,164)(H,123,165)(H,124,169)(H,125,170)(H,126,166)(H,127,159)(H,128,157)(H,129,160)(H,130,151)(H,131,152)(H,132,161)(H,133,162)(H,134,142)(H,135,163)(H,136,167)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,171,172)(H4,112,113,114)/t51-,52-,53-,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,82-,83-,84-/m0/s1
  • InChiKey: DFAVYFYUPKFGNL-ISUDGPLKSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL No references

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) nuclear hormone receptor family member nhr-1 0.002 0.0205 0.03
Schistosoma mansoni mevalonate kinase 0.0071 0.2561 0.3703
Treponema pallidum galactokinase 0.0203 0.8609 1
Giardia lamblia Mevalonate kinase 0.0071 0.2561 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0624 0.1708
Schistosoma mansoni nuclear hormone receptor 0.002 0.0205 0.0206
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0071 0.2561 0.3909
Echinococcus granulosus diphosphomevalonate decarboxylase 0.003 0.067 0.0608
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.3181 0.7391
Loa Loa (eye worm) hypothetical protein 0.002 0.0205 0.03
Loa Loa (eye worm) hypothetical protein 0.0027 0.0537 0.0787
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0085 0.3181 0.3136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1562 0.222
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0205 0.03
Mycobacterium tuberculosis Probable homoserine kinase ThrB 0.003 0.067 0.0579
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0205 0.014
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.5236 0.7679
Loa Loa (eye worm) hypothetical protein 0.002 0.0205 0.03
Brugia malayi diphosphomevalonate decarboxylase family protein 0.003 0.067 0.0983
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0205 0.014
Loa Loa (eye worm) hypothetical protein 0.0054 0.1767 0.2591
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0205 0.03
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0034 0.0862 0.0801
Entamoeba histolytica hypothetical protein 0.0039 0.1074 0.1048
Echinococcus granulosus intermediate filament protein 0.0029 0.0625 0.0562
Loa Loa (eye worm) hypothetical protein 0.0133 0.5392 0.7908
Plasmodium vivax ubiquitin activating enzyme, putative 0.0052 0.1685 0.5148
Leishmania major hypothetical protein, conserved 0.0027 0.0537 0.0444
Schistosoma mansoni thyroid hormone receptor 0.002 0.0205 0.0206
Trichomonas vaginalis mevalonate kinase, putative 0.003 0.067 0.1511
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0034 0.0862 0.0801
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0085 0.3181 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.3181 0.7391
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0205 0.03
Trypanosoma cruzi galactokinase, putative 0.0233 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.013 0.5262 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.1837 0.2616
Trypanosoma brucei trypanothione reductase 0.0051 0.1639 0.2446
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0034 0.0862 0.1214
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0218 0.0122
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0537 0.0698
Trichomonas vaginalis galactokinase, putative 0.0108 0.427 1
Toxoplasma gondii ThiF family protein 0.0034 0.0862 0.1833
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0205 0.0206
Loa Loa (eye worm) hypothetical protein 0.002 0.0205 0.03
Echinococcus granulosus N acetylgalactosamine kinase 0.0108 0.427 0.4232
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0205 0.0206
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0052 0.1685 0.2402
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0218 0.0189
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0205 0.03
Trypanosoma brucei mevalonate-diphosphate decarboxylase 0.003 0.067 0.091
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 0.003 0.067 0.1511
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0071 0.2561 0.4177
Giardia lamblia Diphosphomevalonate decarboxylase 0.003 0.067 0.2532
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0071 0.2561 0.2488
Plasmodium falciparum SUMO-activating enzyme subunit 2 0.0034 0.0862 0.2481
Brugia malayi ecdysteroid receptor 0.002 0.0205 0.03
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0117 0.4661 0.4609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1562 0.1505
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.3181 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0205 0.014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1767 0.2591
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0097 0.0067
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0205 0.03
Mycobacterium ulcerans galactokinase 0.0233 1 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0205 0.03
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.1837 0.1757
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0205 0.03
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0071 0.2561 0.2488
Echinococcus multilocularis N acetylgalactosamine kinase 0.0108 0.427 0.4232
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0205 0.03
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0052 0.1685 0.5148
Toxoplasma gondii hypothetical protein 0.0052 0.1685 0.3804
Loa Loa (eye worm) hypothetical protein 0.003 0.067 0.0983
Echinococcus multilocularis galactokinase 0.0233 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1074 0.1015
Leishmania major mevalonate-diphosphate decarboxylase, putative 0.003 0.067 0.0579
Loa Loa (eye worm) hypothetical protein 0.0071 0.2561 0.3756
Trichomonas vaginalis galactokinase, putative 0.003 0.067 0.1511
Schistosoma mansoni lamin 0.0029 0.0625 0.0829
Onchocerca volvulus 0.0029 0.0625 0.0635
Schistosoma mansoni coup transcription factor 0.002 0.0205 0.0206
Trypanosoma brucei mevalonate diphosphate decarboxylase 0.003 0.067 0.091
Loa Loa (eye worm) hypothetical protein 0.0029 0.06 0.088
Trypanosoma brucei mevalonate kinase, putative 0.0071 0.2561 0.3909
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0205 0.014
Toxoplasma gondii GHMP kinase, putative 0.0071 0.2561 0.5904
Leishmania major phosphomevalonate kinase protein, putative 0.0071 0.2561 0.2488
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0218 0.0189
Trypanosoma cruzi fucose kinase, putative 0.0041 0.117 0.1143
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1562 0.1505
Entamoeba histolytica hypothetical protein 0.0039 0.1074 0.1048
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0097 0.0067
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0117 0.4661 0.4609
Brugia malayi steroid hormone receptor 0.002 0.0205 0.03
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0205 0.014
Loa Loa (eye worm) glutathione reductase 0.0051 0.1639 0.2403
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0117 0.4661 0.8705
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0047 0.1464 0.2074
Brugia malayi galactokinase family protein 0.0108 0.427 0.6262
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0218 0.0142
Trypanosoma cruzi homoserine kinase 0.0071 0.2561 0.2539
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0205 0.03
Brugia malayi ThiF family protein 0.0034 0.0862 0.1264
Trichomonas vaginalis conserved hypothetical protein 0.003 0.067 0.1511
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.1639 0.1614
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1767 0.2591
Loa Loa (eye worm) hypothetical protein 0.0052 0.1685 0.247
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0205 0.0206
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0097 0.0158
Schistosoma mansoni lamin 0.0029 0.0625 0.0829
Trypanosoma brucei galactokinase-like protein, putative 0.0155 0.64 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0066 0.0097
Brugia malayi hypothetical protein 0.0027 0.0537 0.0787
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0085 0.3181 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0625 0.0916
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.098 0.1437
Leishmania major mevalonate kinase, putative 0.0071 0.2561 0.2488
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0218 0.0152
Leishmania major galactokinase-like protein 0.0233 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.013 0.5262 0.5216
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0205 0.014
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.003 0.0641 0.0613
Brugia malayi hypothetical protein 0.0164 0.6819 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0117 0.4661 0.4609
Trypanosoma cruzi homoserine kinase 0.0071 0.2561 0.2539
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0625 0.0916
Leishmania major fucose kinase, putative 0.003 0.067 0.0579
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1562 0.229
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0205 0.03
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0233 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0537 0.1427
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0205 0.03
Toxoplasma gondii exonuclease III APE 0.002 0.0218 0.0289
Loa Loa (eye worm) hypothetical protein 0.0133 0.5392 0.7908
Schistosoma mansoni ap endonuclease 0.002 0.0218 0.0225
Entamoeba histolytica hypothetical protein 0.0039 0.1074 0.1048
Echinococcus multilocularis musashi 0.0029 0.0625 0.0562
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0097 0.0031
Plasmodium falciparum glutathione reductase 0.0051 0.1639 0.4999
Schistosoma mansoni ap endonuclease 0.002 0.0218 0.0225
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0205 0.014
Loa Loa (eye worm) hypothetical protein 0.0037 0.098 0.1437
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0205 0.014
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0205 0.03
Echinococcus granulosus FTZ F1 alpha 0.002 0.0205 0.014
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0117 0.4661 0.4609
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1074 0.1015
Toxoplasma gondii thioredoxin reductase 0.0051 0.1639 0.3694
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1562 0.1505
Echinococcus granulosus lamin 0.0029 0.0625 0.0562
Mycobacterium tuberculosis Probable oxidoreductase 0.013 0.5262 0.5216
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0205 0.03
Brugia malayi hypothetical protein 0.0039 0.1074 0.1575
Trypanosoma cruzi mevalonate kinase, putative 0.0071 0.2561 0.2539
Mycobacterium ulcerans homoserine kinase 0.0071 0.2561 0.2488
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0205 0.014
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0218 0.0192
Brugia malayi Thioredoxin reductase 0.0051 0.1639 0.2403
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0097 0.0067
Mycobacterium ulcerans diphosphomevalonate decarboxylase 0.003 0.067 0.0579
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.1639 0.1583
Leishmania major fucose kinase, putative 0.003 0.067 0.0579
Loa Loa (eye worm) galactokinase 0.0108 0.427 0.6262
Brugia malayi nuclear receptor NHR-88 0.002 0.0205 0.03
Loa Loa (eye worm) hypothetical protein 0.002 0.0205 0.03
Brugia malayi hypothetical protein 0.0018 0.0091 0.0134
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0218 0.0392
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0624 0.0619
Mycobacterium tuberculosis Probable dehydrogenase 0.0117 0.4661 0.4609
Onchocerca volvulus 0.0029 0.0625 0.0635
Echinococcus granulosus Mevalonate galactokinase 0.0071 0.2561 0.2511
Trichomonas vaginalis galactokinase, putative 0.0108 0.427 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0097 0.0067
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0097 0.0045
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.1639 0.2403
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0218 0.0152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1562 0.222
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.013 0.5262 0.5216
Entamoeba histolytica hypothetical protein 0.0039 0.1074 0.1048
Loa Loa (eye worm) hypothetical protein 0.0164 0.6819 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0537 0.1427
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0205 0.03
Schistosoma mansoni diphosphomevalonate decarboxylase 0.003 0.067 0.0897
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0218 0.0189
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0205 0.014
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0097 0.0067
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0205 0.014
Brugia malayi MH2 domain containing protein 0.0129 0.5236 0.7679
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0205 0.014
Brugia malayi hypothetical protein 0.0133 0.5392 0.7908
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0205 0.03
Trypanosoma brucei homoserine kinase 0.0071 0.2561 0.3909
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0097 0.0067
Leishmania major ubiquitin-activating enzyme-like protein 0.0034 0.0862 0.0773
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0537 0.1427
Echinococcus multilocularis lamin 0.0029 0.0625 0.0562
Mycobacterium ulcerans phosphomevalonate kinase 0.0071 0.2561 0.2488
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.3181 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0205 0.03
Entamoeba histolytica galactokinase, putative 0.0233 1 1
Brugia malayi Probable ClpP-like protease 0.0085 0.3181 0.4665
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1767 0.2591
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0537 0.0509
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.003 0.067 0.0608
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0085 0.3181 0.5514
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.3181 0.3115
Brugia malayi mevalonate kinase family protein 0.0071 0.2561 0.3756
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0205 0.0206
Trichomonas vaginalis galactokinase, putative 0.0041 0.117 0.2688
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0205 0.03
Brugia malayi glutathione reductase 0.0051 0.1639 0.2403
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.1837 0.1783
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0218 0.0443
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.1639 0.1557
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0205 0.014
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1562 0.1505
Loa Loa (eye worm) hypothetical protein 0.002 0.0205 0.03
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.1639 0.1583
Schistosoma mansoni hypothetical protein 0.0037 0.098 0.1356
Schistosoma mansoni thyroid hormone receptor 0.002 0.0205 0.0206
Echinococcus granulosus lamin dm0 0.0029 0.0625 0.0562
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0097 0.0031
Loa Loa (eye worm) hypothetical protein 0.002 0.0205 0.03
Toxoplasma gondii hypothetical protein 0.0029 0.0624 0.1262
Plasmodium vivax SUMO-activating enzyme subunit 2, putative 0.0034 0.0862 0.2481
Mycobacterium leprae PROBABLE HOMOSERINE KINASE THRB 0.003 0.067 0.0101
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.003 0.067 0.0643
Trypanosoma cruzi galactokinase-like protein, putative 0.0203 0.8609 0.8605
Brugia malayi ThiF family protein 0.0052 0.1685 0.247
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0097 0.0067
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0537 0.1055
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0205 0.014
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0205 0.0206
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0085 0.3181 1
Trypanosoma cruzi galactokinase, putative 0.0203 0.8609 0.8605
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0071 0.2561 0.2488
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0085 0.3181 0.3115
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0205 0.014
Leishmania major homoserine kinase, putative 0.0071 0.2561 0.2488
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0052 0.1685 0.1629
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0205 0.014
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0218 0.0392
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0085 0.3181 0.3624
Plasmodium vivax glutathione reductase, putative 0.0051 0.1639 0.4999
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0071 0.2561 0.7989
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0205 0.0206
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0218 0.0319
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.003 0.067 0.0643
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0108 0.427 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0218 0.0743
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.003 0.067 0.186
Onchocerca volvulus Huntingtin homolog 0.0133 0.5392 0.7843
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0218 0.0443
Brugia malayi nuclear hormone receptor 0.002 0.0205 0.03
Loa Loa (eye worm) hypothetical protein 0.0085 0.3181 0.4665
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0034 0.0862 0.1181
Trypanosoma cruzi fucose kinase, putative 0.0041 0.117 0.1143
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0537 0.0509
Loa Loa (eye worm) hypothetical protein 0.0029 0.0625 0.0916
Onchocerca volvulus 0.0164 0.6819 1
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.003 0.067 0.0643
Trichomonas vaginalis galactokinase, putative 0.0108 0.427 1
Onchocerca volvulus Huntingtin homolog 0.0133 0.5392 0.7843
Trypanosoma cruzi galactokinase, putative 0.0233 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0205 0.03
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0097 0.0158
Brugia malayi intermediate filament protein 0.0029 0.0625 0.0916
Schistosoma mansoni intermediate filament proteins 0.0029 0.0625 0.0829
Mycobacterium tuberculosis Probable reductase 0.0117 0.4661 0.4609
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0218 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0205 0.03
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0205 0.03
Onchocerca volvulus 0.003 0.067 0.0704
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0097 0.0067
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0034 0.0862 0.0835
Schistosoma mansoni peptidase Clp (S14 family) 0.0085 0.3181 0.4624
Loa Loa (eye worm) hypothetical protein 0.002 0.0205 0.03
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0205 0.0206
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.1837 0.1757
Echinococcus multilocularis lamin dm0 0.0029 0.0625 0.0562
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.5236 0.7679
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0205 0.03
Plasmodium falciparum thioredoxin reductase 0.0051 0.1639 0.4999
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0097 0.0142
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1562 0.229
Schistosoma mansoni galactokinase 0.0108 0.427 0.624
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0205 0.03
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1562 0.222
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0218 0.0122
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0085 0.3181 0.3136
Leishmania major trypanothione reductase 0.0051 0.1639 0.1557
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0205 0.0206
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0066 0.0097
Trichomonas vaginalis galactokinase, putative 0.0108 0.427 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0624 0.1708
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.003 0.067 0.0643
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0066 0.0097
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0218 0.0319
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1074 0.1496
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0205 0.03
Schistosoma mansoni hypothetical protein 0.0039 0.1074 0.1496
Echinococcus multilocularis Mevalonate galactokinase 0.0071 0.2561 0.2511
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0205 0.014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0205 0.03
Loa Loa (eye worm) hypothetical protein 0.0017 0.0066 0.0097
Loa Loa (eye worm) ThiF family protein 0.0034 0.0862 0.1264
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.1639 0.4999
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0625 0.0916
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0097 0.0067
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.1837 0.1783
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0097 0.0265
Treponema pallidum hypothetical protein 0.0071 0.2561 0.2895
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0205 0.0206
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0218 0.0392
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0052 0.1685 0.1629

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.3 uM Displacement of fluorescein-CSSRFESLFAGEKESR from human androgen receptor-LBD after 1 hr by fluorescence polarization assay 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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