Detailed information for compound 1808478

Basic information

Technical information
  • TDR Targets ID: 1808478
  • Name: AIDS-168479
  • MW: 1792.09 | Formula: C86H130N22O20
  • H donors: 23 H acceptors: 20 LogP: -2.51 Rotable bonds: 69
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]c2c1cccc2)CCCN=C(N)N)C)CC(C)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]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCC(=O)O)C)Cc1ccc(cc1)O)Cc1ccccc1)CC(C)C)CC(C)C
  • InChi: 1S/C86H130N22O20/c1-45(2)37-61(79(122)96-48(7)73(116)95-44-69(112)98-58(24-17-35-93-86(91)92)76(119)106-66(85(128)108-36-18-25-67(108)72(90)115)42-53-43-94-57-22-14-13-21-55(53)57)102-77(120)59(23-15-16-34-87)100-80(123)62(38-46(3)4)103-81(124)63(39-47(5)6)104-83(126)65(40-51-19-11-10-12-20-51)105-82(125)64(41-52-26-28-54(110)29-27-52)101-74(117)49(8)97-84(127)71(50(9)109)107-78(121)60(31-33-70(113)114)99-75(118)56(88)30-32-68(89)111/h10-14,19-22,26-29,43,45-50,56,58-67,71,94,109-110H,15-18,23-25,30-42,44,87-88H2,1-9H3,(H2,89,111)(H2,90,115)(H,95,116)(H,96,122)(H,97,127)(H,98,112)(H,99,118)(H,100,123)(H,101,117)(H,102,120)(H,103,124)(H,104,126)(H,105,125)(H,106,119)(H,107,121)(H,113,114)(H4,91,92,93)/t48-,49-,50+,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-/m0/s1
  • InChiKey: CEMFEUFMKALURG-ZDSVFQOUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • AIDS168479
  • NH2-Gln95-Glu-Thr-Ala-Tyr-Phe-Leu-Leu-Lys-Leu-Ala-Gly-Arg-Trp-Pro109-CONH2

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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0075 0.0111 0.0955
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0013 0.0108
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0078 0.0666
Echinococcus multilocularis microtubule associated protein 2 0.0657 0.1063 0.9473
Echinococcus multilocularis pyruvate kinase 0.0017 0.0017 0.0151
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0075 0.0111 0.0955
Echinococcus multilocularis pyruvate kinase 0.0034 0.0044 0.0391
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0007 0.0001 0.0006
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0008 0.0002 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0016 0.0014 0.0122
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.0005 0.0046
Schistosoma mansoni coup transcription factor 0.0016 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Echinococcus granulosus muscleblind protein 0.0344 0.0551 0.5177
Mycobacterium ulcerans aldehyde dehydrogenase 0.0099 0.0151 0.0148
Brugia malayi latrophilin 2 splice variant baaae 0.0051 0.0072 0.0622
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.0258 0.2218
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0099 0.0151 1
Schistosoma mansoni nuclear receptor 0.0007 0.0001 0.0006
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0165 0.0258 0.23
Schistosoma mansoni serine/threonine protein kinase 0.0719 0.1164 1
Entamoeba histolytica hypothetical protein 0.0034 0.0044 0.0211
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0044 0.004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0014 0.0127
Schistosoma mansoni retinoic acid receptor RXR 0.0016 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0007 0.0001 0.0006
Schistosoma mansoni RAR-like nuclear receptor 0.0016 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0122
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0007 0.0001 0.0006
Echinococcus multilocularis pyruvate kinase 0.0017 0.0017 0.0151
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0016 0.0014 0.0122
Echinococcus granulosus nuclear receptor nhr 48 0.0007 0.0001 0.0006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.0241 0.2068
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0007 0.0001 0.0006
Echinococcus granulosus geminin 0.0318 0.0509 0.4784
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0075 0.0111 0.0955
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0018 0.5
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0044 1
Schistosoma mansoni zinc finger protein 0.0007 0.0001 0.0006
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0044 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0007 0.0001 0.0006
Onchocerca volvulus Bile acid receptor homolog 0.0016 0.0014 0.0195
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0007 0.0001 0.0006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0154 0.0241 0.2146
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0016 0.0014 0.0134
Echinococcus granulosus pyruvate kinase 0.0034 0.0044 0.0412
Schistosoma mansoni steroid hormone receptor ad4bp 0.0016 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.6122 1 1
Brugia malayi Cytochrome P450 family protein 0.0009 0.0003 0.0029
Schistosoma mansoni nuclear hormone receptor 0.0007 0.0001 0.0006
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0043 0.0372
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0016 0.0014 0.0134
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0014 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0014 0.0122
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0044 0.0377
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0007 0.0001 0.0006
Brugia malayi nuclear hormone receptor 0.0007 0.0001 0.0006
Onchocerca volvulus 0.0432 0.0694 1
Brugia malayi Nuclear hormone receptor E75 0.0007 0.0001 0.0006
Brugia malayi hypothetical protein 0.0008 0.0002 0.0018
Loa Loa (eye worm) hypothetical protein 0.0008 0.0002 0.0018
Schistosoma mansoni hypothetical protein 0.0318 0.0509 0.4369
Brugia malayi Pre-SET motif family protein 0.0054 0.0078 0.0666
Brugia malayi Latrophilin receptor protein 2 0.0024 0.0027 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0016 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0122
Brugia malayi nuclear receptor NHR-88 0.0007 0.0001 0.0006
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0034 0.0044 0.0417
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0016 0.0014 0.0122
Schistosoma mansoni pyruvate kinase 0.0017 0.0017 0.0146
Brugia malayi hypothetical protein 0.0308 0.0493 0.4235
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0024 0.0027 0.0235
Loa Loa (eye worm) hypothetical protein 0.0008 0.0002 0.0018
Echinococcus multilocularis muscleblind protein 1 0.0344 0.0551 0.4904
Loa Loa (eye worm) nuclear hormone receptor 0.0007 0.0001 0.0006
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0018 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.0241 0.2068
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0014 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0016 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Leishmania major pyruvate kinase 0.0034 0.0044 0.2737
Loa Loa (eye worm) nuclear receptor NHR-67 0.0007 0.0001 0.0006
Trichomonas vaginalis set domain proteins, putative 0.0432 0.0694 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0018 0.0014
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0014 0.0122
Toxoplasma gondii exonuclease III APE 0.0018 0.0018 0.0955
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0016 0.0014 0.0134
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0016 0.0014 0.0122
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0154 0.0241 0.2068
Echinococcus multilocularis 0.0009 0.0003 0.0031
Echinococcus multilocularis pyruvate kinase 0.0027 0.0032 0.0287
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0078 0.0666
Brugia malayi hypothetical protein 0.0007 0.0001 0.0006
Echinococcus granulosus pyruvate kinase 0.0017 0.0017 0.016
Schistosoma mansoni aldehyde dehydrogenase 0.0099 0.0151 0.1298
Brugia malayi Muscleblind-like protein 0.0344 0.0551 0.4728
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0018 0.0955
Mycobacterium ulcerans aldehyde dehydrogenase 0.0099 0.0151 0.0148
Loa Loa (eye worm) hypothetical protein 0.039 0.0627 0.5383
Brugia malayi nuclear hormone receptor family member nhr-6 0.0007 0.0001 0.0006
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0099 0.0151 0.1421
Brugia malayi tailless protein 0.0007 0.0001 0.0006
Entamoeba histolytica fatty acid elongase, putative 0.0795 0.1289 1
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0014 0.0122
Echinococcus multilocularis GPCR, family 2 0.0024 0.0027 0.0244
Brugia malayi Nuclear hormone receptor E75 0.0007 0.0001 0.0006
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0014 0.0122
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0008 0.0002 0.0018
Brugia malayi hypothetical protein 0.0204 0.0323 0.2773
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0018 0.0156
Loa Loa (eye worm) runx1 0.0039 0.0052 0.0446
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0008 0.0002 0.0019
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0154 0.0241 0.2068
Brugia malayi photoreceptor-specific nuclear receptor 0.0016 0.0014 0.0122
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0013 0.0108
Schistosoma mansoni lozenge 0.0039 0.0052 0.0446
Loa Loa (eye worm) hypothetical protein 0.0008 0.0002 0.0018
Echinococcus granulosus pyruvate kinase 0.0017 0.0017 0.016
Onchocerca volvulus 0.0042 0.0057 0.0809
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0018 0.0001
Brugia malayi MH2 domain containing protein 0.0102 0.0156 0.1336
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0016 0.0014 0.0195
Schistosoma mansoni pyruvate kinase 0.0034 0.0044 0.0377
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0054 0.0078 0.0691
Loa Loa (eye worm) hypothetical protein 0.0008 0.0002 0.0018
Loa Loa (eye worm) latrophilin receptor protein 2 0.0024 0.0027 0.0235
Leishmania major cytochrome p450-like protein 0.0015 0.0013 0.062
Mycobacterium ulcerans aldehyde dehydrogenase 0.0099 0.0151 0.0148
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0054 0.0078 0.0666
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0379 0.0609 0.5228
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0719 0.1164 1
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0165 0.0258 0.2429
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0013 0.2267
Leishmania major pyruvate kinase 0.0034 0.0044 0.2737
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0024 0.0027 0.0258
Loa Loa (eye worm) pyruvate kinase 0.0007 0 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0016 0.0014 0.0122
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0013 0.0108
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0002 0.0018
Brugia malayi Cytochrome P450 family protein 0.0015 0.0013 0.0108
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0016 0.0014 0.0122
Echinococcus granulosus FTZ F1 alpha 0.0016 0.0014 0.0134
Brugia malayi hypothetical protein 0.0007 0.0001 0.0006
Schistosoma mansoni hypothetical protein 0.0024 0.0027 0.0235
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.6122 1 1
Brugia malayi Cytochrome P450 family protein 0.0015 0.0013 0.0108
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0016 0.0014 0.0127
Loa Loa (eye worm) steroid hormone receptor 0.0016 0.0014 0.0122
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0044 0.0389
Brugia malayi nuclear receptor RXR 0.0007 0.0001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0308 0.0493 0.4235
Brugia malayi hypothetical protein 0.0034 0.0044 0.0381
Brugia malayi conserved hypotetical protein 0.0007 0.0001 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0014 0.0122
Schistosoma mansoni pyruvate kinase 0.0034 0.0044 0.0377
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0052 0.0074 0.0699
Echinococcus granulosus survival motor neuron protein 1 0.0204 0.0323 0.3037
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0002 0.0018
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0693 0.1123 1
Loa Loa (eye worm) hypothetical protein 0.0344 0.0551 0.4728
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0016 0.0014 0.0122
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0018 0.3488
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0054 0.0078 0.5021
Brugia malayi nuclear receptor RXR 0.0008 0.0002 0.0018
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0007 0.0001 0.0006
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0016 0.0014 0.0134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0154 0.0241 0.2265
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0018 0.0014
Loa Loa (eye worm) cytochrome P450 0.0009 0.0003 0.0029
Entamoeba histolytica hypothetical protein 0.0034 0.0044 0.0211
Loa Loa (eye worm) MH2 domain-containing protein 0.0102 0.0156 0.1336
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Echinococcus multilocularis muscleblind protein 0.0344 0.0551 0.4904
Brugia malayi ecdysteroid receptor 0.0016 0.0014 0.0122
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.0078 0.0729
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.6122 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0122
Giardia lamblia Pyruvate kinase 0.0034 0.0044 1
Entamoeba histolytica hypothetical protein 0.0034 0.0044 0.0211
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0027 0.0076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.0241 0.2068
Brugia malayi pyruvate kinase 0.0007 0 0.0002
Echinococcus granulosus GPCR family 2 0.0024 0.0027 0.0258
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0008 0.0002 0.0018
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0007 0.0001 0.0006
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0016 0.0014 0.0122
Entamoeba histolytica fatty acid elongase, putative 0.0795 0.1289 1
Brugia malayi orphan nuclear receptor NR2E1 0.0007 0.0001 0.0006
Brugia malayi nuclear hormone receptor 0.0016 0.0014 0.0122
Onchocerca volvulus 0.0016 0.0014 0.0195
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0122
Schistosoma mansoni aldehyde dehydrogenase 0.0099 0.0151 0.1298
Schistosoma mansoni microtubule-associated protein tau 0.0657 0.1063 0.9132
Brugia malayi ecdysone receptor 0.0007 0.0001 0.0006
Entamoeba histolytica hypothetical protein 0.0034 0.0044 0.0211
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0027 0.0233
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0044 0.2737
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0016 0.0014 0.0122
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0014 0.0122
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0078 0.0666
Echinococcus granulosus Nuclear hormone receptor HR96 0.0007 0.0001 0.0006
Echinococcus multilocularis survival motor neuron protein 1 0.0204 0.0323 0.2877
Schistosoma mansoni hypothetical protein 0.0009 0.0003 0.0029
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0018 0.3488
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.6122 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0018 0.3488
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0044 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0016 0.0014 0.0127
Schistosoma mansoni hypothetical protein 0.0024 0.0027 0.0235
Schistosoma mansoni hypothetical protein 0.0042 0.0057 0.0488
Loa Loa (eye worm) hypothetical protein 0.0344 0.0551 0.4728
Loa Loa (eye worm) hypothetical protein 0.0008 0.0002 0.0018
Brugia malayi Steroid receptor seven-up type 2 0.0016 0.0014 0.0122
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0014 0.0134
Schistosoma mansoni hypothetical protein 0.0024 0.0027 0.0235
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0017 0.0917
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0013 0.2267
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0016 0.0014 0.0122
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0044 0.004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0016 0.0014 0.0122
Schistosoma mansoni hypothetical protein 0.0051 0.0072 0.0622
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0044 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.6122 1 1
Schistosoma mansoni survival motor neuron protein 0.0042 0.0057 0.0488
Schistosoma mansoni ap endonuclease 0.0018 0.0018 0.0151
Echinococcus granulosus thyroid hormone receptor alpha 0.0007 0.0001 0.0006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0154 0.0241 0.2265
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0007 0.0001 0.0006
Schistosoma mansoni transcription factor LCR-F1 0.0034 0.0044 0.0381
Schistosoma mansoni nuclear hormone receptor 0.0007 0.0001 0.0006
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0013 0.0009
Entamoeba histolytica fatty acid elongase, putative 0.0795 0.1289 1
Brugia malayi Protein kinase domain containing protein 0.0719 0.1164 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.0078 0.0691
Echinococcus multilocularis nuclear receptor nhr 48 0.0007 0.0001 0.0006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0154 0.0241 0.2146
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0044 0.0377
Entamoeba histolytica fatty acid elongase, putative 0.0795 0.1289 1
Brugia malayi nuclear receptor NHR-88 0.0016 0.0014 0.0122
Onchocerca volvulus Huntingtin homolog 0.039 0.0627 0.9025
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0024 0.0027 0.0244
Echinococcus multilocularis thyroid hormone receptor alpha 0.0016 0.0014 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0016 0.0014 0.0122
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0016 0.0014 0.0127
Echinococcus multilocularis FTZ F1 alpha 0.0016 0.0014 0.0127
Brugia malayi Cytochrome P450 family protein 0.0033 0.0043 0.0372
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0016 0.0014 0.0127
Schistosoma mansoni hypothetical protein 0.0034 0.0044 0.0381
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0016 0.0014 0.0122
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0042 0.0057 0.0488
Echinococcus granulosus pyruvate kinase 0.0034 0.0044 0.0412
Loa Loa (eye worm) hypothetical protein 0.0054 0.0078 0.0666
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.6122 1 1
Schistosoma mansoni ap endonuclease 0.0018 0.0018 0.0151
Echinococcus granulosus cytochrome P450 2K1 0.0009 0.0003 0.0032
Brugia malayi hypothetical protein 0.039 0.0627 0.5383
Schistosoma mansoni hypothetical protein 0.0318 0.0509 0.4369
Brugia malayi nuclear hormone receptor family member odr-7 0.0007 0.0001 0.0006
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0044 0.0027
Echinococcus granulosus Nuclear hormone receptor HR96 0.0007 0.0001 0.0006
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.6122 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0027 0.0233
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0099 0.0151 0.0148
Echinococcus granulosus pyruvate kinase 0.0017 0.0017 0.016
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0014 0.0122
Schistosoma mansoni hypothetical protein 0.0024 0.0027 0.0235
Echinococcus granulosus ecdysone induced protein 78C 0.0016 0.0014 0.0134
Entamoeba histolytica protein kinase, putative 0.0165 0.0258 0.1894
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0099 0.0151 0.1346
Schistosoma mansoni cytochrome P450 0.0009 0.0003 0.0029
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0018 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0016 0.0014 0.0122
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0044 0.0377
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0014 0.0122
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0024 0.0027 0.0244
Entamoeba histolytica fatty acid elongase, putative 0.0795 0.1289 1
Echinococcus multilocularis geminin 0.0318 0.0509 0.4532
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0007 0.0001 0.0006
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0024 0.0027 0.0258
Loa Loa (eye worm) transcription factor SMAD2 0.0102 0.0156 0.1336
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0006
Loa Loa (eye worm) hypothetical protein 0.039 0.0627 0.5383
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0165 0.0258 0.2301
Schistosoma mansoni nuclear receptor nhr-48 0.0007 0.0001 0.0006
Entamoeba histolytica protein kinase, putative 0.0165 0.0258 0.1894
Plasmodium vivax SET domain protein, putative 0.0054 0.0078 0.0061
Loa Loa (eye worm) hypothetical protein 0.0308 0.0493 0.4235
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.0044 1
Brugia malayi pyruvate kinase, muscle isozyme 0.0007 0 0.0002
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0034 0.0044 0.0395
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0044 0.0622
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0013 0.2267
Brugia malayi nuclear receptor NHR-67 0.0007 0.0001 0.0006
Brugia malayi cytochrome P450 0.0009 0.0003 0.0029
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0014 0.0134
Brugia malayi hypothetical protein 0.0008 0.0002 0.0018
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0002 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0016 0.0014 0.0122
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0044 0.0389
Onchocerca volvulus 0.0054 0.0078 0.1108
Echinococcus multilocularis ecdysone induced protein 78C 0.0016 0.0014 0.0127
Schistosoma mansoni nuclear receptor 0.0007 0.0001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0122
Echinococcus multilocularis pyruvate kinase 0.0017 0.0017 0.0151
Loa Loa (eye worm) hypothetical protein 0.0204 0.0323 0.2773
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0018 0.0207
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0016 0.0014 0.0134
Loa Loa (eye worm) hypothetical protein 0.0051 0.0072 0.0622
Onchocerca volvulus Protein ultraspiracle homolog 0.0016 0.0014 0.0195
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0014 0.0122
Plasmodium falciparum pyruvate kinase 0.0034 0.0044 0.0027
Echinococcus multilocularis pyruvate kinase 0.0034 0.0044 0.0391
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0044 0.0622
Loa Loa (eye worm) DR-78 0.0007 0.0001 0.0006
Brugia malayi steroid hormone receptor 0.0016 0.0014 0.0122
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0044 0.0622
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0016 0.0014 0.0122
Loa Loa (eye worm) hypothetical protein 0.0024 0.0027 0.0235
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0018 0.0151
Echinococcus multilocularis Protein lozenge 0.0039 0.0052 0.0462
Echinococcus granulosus microtubule associated protein 2 0.0657 0.1063 1
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0044 0.0377
Loa Loa (eye worm) hypothetical protein 0.0075 0.0111 0.0955
Onchocerca volvulus Huntingtin homolog 0.039 0.0627 0.9025
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0016 0.0014 0.0122
Brugia malayi Pre-SET motif family protein 0.0379 0.0609 0.5228
Toxoplasma gondii aldehyde dehydrogenase 0.0099 0.0151 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0044 0.0377
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0018 0.0165
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0044 0.0377
Onchocerca volvulus 0.0308 0.0493 0.7098
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0165 0.0258 0.2428

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 35 uM Inhibitory activity of compound against HIV-1 integrase ChEMBL. 12643937

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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