Detailed information for compound 1603905

Basic information

Technical information
  • TDR Targets ID: 1603905
  • Name: NCI60_036343
  • MW: 463.592 | Formula: C26H29N3O3S
  • H donors: 2 H acceptors: 3 LogP: 4.8 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1C(=O)N[C@]2(CC1c1ccccc1O2)C)Nc1scc(n1)C12CC3CC(C2)CC(C1)C3
  • InChi: 1S/C26H29N3O3S/c1-25-12-18(17-4-2-3-5-19(17)32-25)21(23(31)29-25)22(30)28-24-27-20(13-33-24)26-9-14-6-15(10-26)8-16(7-14)11-26/h2-5,13-16,18,21H,6-12H2,1H3,(H,29,31)(H,27,28,30)/t14?,15?,16?,18?,21?,25-,26?/m1/s1
  • InChiKey: QUTISXKGYLCYHB-HIRMIEAISA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • NSC701093

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
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0546 0.5208 0.661
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0816 0.7855 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0276 0.2561 0.4557
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0137 0.12 0.1778
Toxoplasma gondii type I fatty acid synthase, putative 0.058 0.5541 1
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0034 0.0195 0.0272
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0084 0.0678 0.0807
Brugia malayi Phosphopantetheine attachment site family protein 0.0055 0.0398 0.0398
Mycobacterium ulcerans fatty acid synthase Fas 0.0171 0.1538 0.1908
Schistosoma mansoni zinc binding dehydrogenase 0.0034 0.0189 0.0264
Loa Loa (eye worm) hypothetical protein 0.0029 0.0142 0.0161
Schistosoma mansoni cpg binding protein 0.0031 0.0157 0.0216
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.051 0.0745
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0235 0.0333
Mycobacterium ulcerans polyketide synthase Pks13 0.0816 0.7855 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0055 0.0398 0.0398
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.051 0.4014
Echinococcus granulosus dna polymerase kappa 0.0019 0.0048 0.0052
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0034 0.0189 0.0264
Mycobacterium ulcerans quinone reductase Qor 0.0034 0.0189 0.0181
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0048 0.0052
Mycobacterium ulcerans short-chain dehydrogenase 0.0034 0.0189 0.0181
Schistosoma mansoni ran 0.0021 0.0067 0.0081
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0055 0.0398 0.0271
Echinococcus granulosus snurportin 1 0.0311 0.2904 0.4331
Loa Loa (eye worm) MBCTL1 0.0055 0.0395 0.0446
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0398 0.0271
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.033 0.2317
Leishmania major quinone oxidoreductase, putative 0.0034 0.0189 0.0995
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0124 0.014
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0034 0.0189 0.3057
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0137 0.12 0.1778
Loa Loa (eye worm) hypothetical protein 0.0041 0.0258 0.0292
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0034 0.0189 0.0181
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0013 0.0013
Leishmania major oxidoreductase, putative 0.0034 0.0189 0.0995
Onchocerca volvulus Putative alcohol dehydrogenase 0.0034 0.0189 0.007
Echinococcus granulosus lamin 0.0027 0.0124 0.0166
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.033 0.2317
Loa Loa (eye worm) hypothetical protein 0.0034 0.0189 0.0214
Echinococcus granulosus geminin 0.0171 0.1534 0.2279
Mycobacterium ulcerans Type I modular polyketide synthase 0.0546 0.5208 0.661
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0439 0.4163 0.5271
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0034 0.0189 0.0181
Leishmania major nuclear receptor binding factor-like protein 0.0034 0.0189 0.0995
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.031 0.031
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0361 0.3396 0.4288
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0034 0.0189 0.0995
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.051 0.051
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0034 0.0189 0.0181
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.031 0.035
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0041 0.0258 0.1687
Treponema pallidum acyl carrier protein 0.0055 0.0398 0.5
Chlamydia trachomatis acyl carrier protein 0.0055 0.0398 0.2016
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0041 0.0258 0.0258
Trypanosoma cruzi oxidoreductase, putative 0.0034 0.0189 0.1227
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0034 0.0189 0.3057
Loa Loa (eye worm) hypothetical protein 0.0917 0.8847 1
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0137 0.12 0.1476
Schistosoma mansoni alcohol dehydrogenase 0.0034 0.0189 0.0264
Loa Loa (eye worm) hypothetical protein 0.0034 0.0189 0.0214
Onchocerca volvulus 0.0034 0.0189 0.007
Loa Loa (eye worm) AMP-binding enzyme family protein 0.051 0.4857 0.549
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0034 0.0189 0.0181
Trypanosoma cruzi acyl transferase-like protein 0.0034 0.0195 0.1274
Onchocerca volvulus Fatty acid synthase homolog 0.0984 0.9504 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0124 0.014
Brugia malayi Methyltransferase-like protein 4 0.0164 0.1469 0.1469
Mycobacterium ulcerans polyketide synthase 0.058 0.5541 0.7036
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0055 0.0398 0.2059
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.051 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0067 0.0081
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.031 0.0444
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0034 0.0189 0.0181
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0529 0.5044 0.64
Schistosoma mansoni acyl carrier protein 0.0055 0.0398 0.0576
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.051 0.4014
Leishmania major d-xylulose reductase, putative 0.0034 0.0189 0.0995
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0137 0.12 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0013 0.0015
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0048 0.0052
Schistosoma mansoni methyltransferase-related 0.0164 0.1469 0.2181
Schistosoma mansoni hypothetical protein 0.0413 0.3906 0.5832
Entamoeba histolytica acyl-CoA synthetase, putative 0.0055 0.0398 0.7558
Schistosoma mansoni lamin 0.0027 0.0124 0.0166
Onchocerca volvulus 0.0034 0.0189 0.007
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0293 0.2727 0.4066
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0034 0.0189 0.0214
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0137 0.12 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0311 0.2904 0.3283
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0329 0.0473
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0354 0.3328 0.5958
Toxoplasma gondii acyl transferase domain-containing protein 0.0034 0.0195 0.0233
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0137 0.12 0.207
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0455 0.4316 0.5384
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0055 0.0398 0.0448
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0084 0.0678 0.0807
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0048 0.033 0.0474
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0398 0.0448
Schistosoma mansoni importin beta-1 0.0029 0.0142 0.0194
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0055 0.0398 0.0449
Loa Loa (eye worm) hypothetical protein 0.0034 0.0189 0.0214
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0439 0.4163 0.5271
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0055 0.0398 0.0448
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0142 0.0138
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.031 0.0444
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.051 0.0745
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.051 0.4857 0.616
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0041 0.0258 0.0258
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0137 0.12 0.8108
Toxoplasma gondii acyl carrier protein ACP 0.0055 0.0398 0.0604
Mycobacterium ulcerans dehydrogenase 0.0034 0.0189 0.0181
Onchocerca volvulus 0.0055 0.0398 0.0292
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0395 0.0571
Schistosoma mansoni hypothetical protein 0.0036 0.0213 0.03
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.031 0.0444
Schistosoma mansoni cpg binding protein 0.0031 0.0157 0.0216
Entamoeba histolytica hypothetical protein 0.0024 0.0088 0.0874
Schistosoma mansoni intermediate filament proteins 0.0027 0.0124 0.0166
Mycobacterium leprae conserved hypothetical protein 0.0055 0.0398 0.0271
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0055 0.0398 0.0448
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0034 0.0189 0.3057
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0067 0.0081
Trypanosoma cruzi oxidoreductase, putative 0.0034 0.0189 0.1227
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0041 0.0258 0.1687
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0048 0.0048
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0034 0.0189 0.0189
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0529 0.5044 0.64
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0034 0.0195 0.0272
Mycobacterium tuberculosis Hypothetical protein 0.0164 0.1469 0.182
Mycobacterium ulcerans Type I modular polyketide synthase 0.0546 0.5208 0.661
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0034 0.0195 0.0188
Mycobacterium tuberculosis Possible dehydrogenase 0.0034 0.0189 0.0181
Toxoplasma gondii type I fatty acid synthase, putative 0.0388 0.3666 0.6575
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0055 0.0398 0.0448
Trypanosoma brucei oxidoreductase, putative 0.0034 0.0189 0.1227
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0137 0.12 0.1357
Echinococcus multilocularis dna polymerase eta 0.0019 0.0048 0.0052
Trichomonas vaginalis ran, putative 0.0021 0.0067 0.0134
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0213 0.03
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0034 0.0189 0.0181
Echinococcus multilocularis geminin 0.0171 0.1534 0.2279
Echinococcus multilocularis lamin dm0 0.0027 0.0124 0.0166
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0034 0.0189 0.0181
Echinococcus multilocularis NADH dehydrogenase 0.0055 0.0398 0.0576
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.1718 0.2554
Echinococcus granulosus cpg binding protein 0.0031 0.0157 0.0216
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0034 0.0189 0.0181
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0188 0.1697 0.2112
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0034 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0027 0.0119 0.0135
Toxoplasma gondii quinone oxidoreductase, putative 0.0034 0.0189 0.0223
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0392 0.3701 0.4679
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0329 0.0473
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0055 0.0398 0.0448
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0067 0.0067
Onchocerca volvulus 0.0029 0.0141 0.0018
Brugia malayi intermediate filament protein 0.0027 0.0124 0.0124
Schistosoma mansoni cpg binding protein 0.0029 0.0141 0.0192
Trypanosoma brucei oxidoreductase, putative 0.0034 0.0189 0.1227
Mycobacterium ulcerans thioesterase 0.0455 0.4316 0.5467
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0034 0.0189 0.1227
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0395 0.0395
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0034 0.0189 0.0181
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0137 0.12 0.1778
Mycobacterium tuberculosis Polyketide synthase Pks12 0.058 0.5541 0.7036
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0034 0.0189 0.0995
Plasmodium vivax hypothetical protein, conserved 0.0078 0.0624 0.4915
Brugia malayi RNA, U transporter 1 0.0083 0.0669 0.0669
Schistosoma mansoni microtubule-associated protein tau 0.0697 0.6688 1
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0034 0.0189 0.0181
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0055 0.0398 0.0398
Trypanosoma cruzi oxidoreductase, putative 0.0034 0.0189 0.1227
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0055 0.0398 0.3033
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.051 0.0577
Loa Loa (eye worm) hypothetical protein 0.0034 0.0189 0.0214
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0034 0.0189 0.1227
Plasmodium vivax malonyl CoA-acyl carrier protein transacylase precursor, putative 0.0034 0.0195 0.1127
Loa Loa (eye worm) hypothetical protein 0.005 0.035 0.0396
Echinococcus multilocularis cpg binding protein 0.0031 0.0157 0.0216
Mycobacterium ulcerans quinone oxidoreductase 0.0034 0.0189 0.0181
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0546 0.5208 0.661
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0546 0.5208 0.6547
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.035 0.035
Mycobacterium ulcerans quinone oxidoreductase 0.0034 0.0189 0.0181
Schistosoma mansoni [ACP] S-malonyltransferase 0.0034 0.0195 0.0272
Schistosoma mansoni lamin 0.0027 0.0124 0.0166
Leishmania major hypothetical protein, conserved 0.0034 0.0195 0.1033
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.046 0.0669
Mycobacterium ulcerans polyketide synthase 0.0546 0.5208 0.661
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0034 0.0189 0.1227
Loa Loa (eye worm) hypothetical protein 0.0306 0.2855 0.3227
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0124 0.0124
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0034 0.0189 0.0181
Loa Loa (eye worm) acyl carrier protein 0.0055 0.0398 0.0449
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0329 0.0219
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0048 0.0052
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0034 0.0189 0.0223
Mycobacterium leprae Probable polyketide synthase Pks1 0.058 0.5541 0.6981
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0221 0.2021 0.2527
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0137 0.12 0.12
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0055 0.0398 0.0448
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0142 0.0819
Mycobacterium ulcerans acyl carrier protein 0.0055 0.0398 0.0448
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0088 0.0284
Echinococcus granulosus dnaJ subfamily B 0.0413 0.3906 0.5832
Schistosoma mansoni [ACP] S-malonyltransferase 0.0034 0.0195 0.0272
Onchocerca volvulus 0.0048 0.0329 0.0219
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0041 0.0258 0.0367
Echinococcus multilocularis microtubule associated protein 2 0.0697 0.6688 1
Mycobacterium leprae Polyketide synthase Pks13 0.0816 0.7855 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0141 0.016
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0084 0.0678 0.0637
Leishmania major zinc binding dehydrogenase-like protein 0.0034 0.0189 0.0995
Mycobacterium ulcerans acyl carrier protein 0.0055 0.0398 0.0448
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0034 0.0189 0.0189
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0142 0.0819
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0137 0.12 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.1718 0.2554
Leishmania major oxidoreductase-like protein 0.0034 0.0189 0.0995
Schistosoma mansoni hypothetical protein 0.0034 0.0194 0.0271
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0034 0.0189 0.0181
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.035 0.035
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0067 0.0134
Entamoeba histolytica hypothetical protein 0.0036 0.0213 0.357
Mycobacterium ulcerans Type I modular polyketide synthase 0.0546 0.5208 0.661
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0048 0.0052
Mycobacterium tuberculosis Conserved protein 0.0164 0.1469 0.182
Echinococcus granulosus dna polymerase eta 0.0019 0.0048 0.0052
Echinococcus multilocularis AMP dependent ligase 0.0055 0.0398 0.0576
Mycobacterium ulcerans oxidoreductase 0.0034 0.0189 0.0181
Toxoplasma gondii TIM10 family protein, putative 0.0048 0.033 0.048
Loa Loa (eye worm) hypothetical protein 0.0016 0.0013 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.031 0.0444
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0395 0.0571
Mycobacterium tuberculosis Possible dehydrogenase 0.0034 0.0189 0.0181
Mycobacterium tuberculosis Probable thioesterase TesA 0.0455 0.4316 0.5467
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0137 0.12 1
Brugia malayi Importin beta-1 subunit 0.0029 0.0142 0.0142
Brugia malayi hypothetical protein 0.0036 0.0213 0.0213
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0137 0.12 0.1476
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0171 0.1538 0.1759
Leishmania major importin beta-1 subunit, putative 0.0024 0.0088 0.0284
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0546 0.5208 0.661
Schistosoma mansoni hypothetical protein 0.0311 0.2904 0.4331
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0067 0.0076
Schistosoma mansoni hypothetical protein 0.0041 0.0258 0.0367
Brugia malayi hypothetical protein 0.0037 0.0219 0.0219
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0084 0.0678 0.0807
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0055 0.0398 0.0448
Plasmodium vivax acyl carrier protein, putative 0.0055 0.0398 0.2916
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0398 0.0448
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0088 0.0284
Mycobacterium tuberculosis Probable oxidoreductase 0.0034 0.0189 0.0181
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0124 0.014
Entamoeba histolytica hypothetical protein 0.0036 0.0213 0.357
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0546 0.5208 0.6547
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0133 0.1165 0.143
Echinococcus multilocularis lamin 0.0027 0.0124 0.0166
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0048 0.0048
Echinococcus granulosus microtubule associated protein 2 0.0697 0.6688 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.058 0.5541 0.6981
Brugia malayi mbt repeat family protein 0.0048 0.0329 0.0329
Schistosoma mansoni ran 0.0021 0.0067 0.0081
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.033 0.048
Leishmania major acyl carrier protein, putative 0.0055 0.0398 0.2459
Echinococcus multilocularis dnaJ subfamily B 0.0413 0.3906 0.5832
Trypanosoma cruzi acyl transferase-like protein, putative 0.0034 0.0195 0.1274
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0034 0.0189 0.0264
Loa Loa (eye worm) hypothetical protein 0.0084 0.0678 0.0766
Leishmania major zinc-binding dehydrogenase-like protein 0.0034 0.0189 0.0995
Schistosoma mansoni hypothetical protein 0.0171 0.1534 0.2279
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0055 0.0398 0.0448
Entamoeba histolytica acyl-CoA synthetase, putative 0.0055 0.0398 0.7558
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0034 0.0189 0.0995
Brugia malayi AMP-binding enzyme family protein 0.051 0.4857 0.4857
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0329 0.0372
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0041 0.0258 0.0349
Mycobacterium ulcerans polyketide synthase MbtC 0.0137 0.12 0.1476
Schistosoma mansoni DNA polymerase eta 0.0019 0.0048 0.0052
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0067 0.0165
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0048 0.033 0.033
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0395 0.0571
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0078 0.0624 0.4915
Echinococcus granulosus acyl carrier protein mitochondrial 0.0055 0.0398 0.0576
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0034 0.0189 0.1227
Echinococcus multilocularis expressed protein 0.0048 0.033 0.0474
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0034 0.0189 0.1227
Mycobacterium ulcerans oxidoreductase FadB5 0.0034 0.0189 0.0181
Echinococcus granulosus AMP dependent ligase 0.0055 0.0398 0.0576
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0034 0.0189 0.0189
Brugia malayi Alcohol dehydrogenase class III 0.0034 0.0189 0.0189
Schistosoma mansoni hypothetical protein 0.0171 0.1534 0.2279
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0395 0.0571
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0055 0.0398 0.0576
Echinococcus granulosus expressed protein 0.0048 0.033 0.0474
Mycobacterium ulcerans oxidoreductase 0.0034 0.0189 0.0181
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0055 0.0398 0.0448
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0194 0.0194
Mycobacterium ulcerans thioesterase TesA 0.0455 0.4316 0.5467
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0034 0.0189 0.0181
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0137 0.12 1
Echinococcus multilocularis musashi 0.0027 0.0124 0.0166
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0088 0.0284
Echinococcus granulosus importin subunit beta 1 0.0029 0.0142 0.0194
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0168 0.1502 0.1863
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.058 0.5541 0.7036
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0041 0.0258 0.0258
Mycobacterium ulcerans hypothetical protein 0.0055 0.0398 0.0448
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0546 0.5208 0.661
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0055 0.0398 0.0292
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.058 0.5541 0.7036
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0055 0.0398 0.3033
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0329 0.0473
Mycobacterium ulcerans NADP-dependent oxidoreductase 0.0034 0.0189 0.0181
Mycobacterium ulcerans polyketide synthase Pks9 0.0361 0.3396 0.4288
Plasmodium falciparum importin beta, putative 0.0029 0.0142 0.0665
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0137 0.12 1
Giardia lamblia Methyltransferase like 2 0.0164 0.1469 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.058 0.5541 0.7036
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0055 0.0398 0.0448
Toxoplasma gondii type I fatty acid synthase 0.0084 0.0678 0.1116
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0137 0.12 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0034 0.0189 0.0995
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0055 0.0398 0.0448
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.031 0.2899 0.3652
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0034 0.0189 0.0181
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0034 0.0195 0.0053
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0213 0.03
Loa Loa (eye worm) hypothetical protein 0.0034 0.0194 0.022
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0048 0.033 0.0373
Schistosoma mansoni [ACP] S-malonyltransferase 0.0034 0.0195 0.0272
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.051 0.3254
Brugia malayi hypothetical protein 0.0037 0.0219 0.0219
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0235 0.0333
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0034 0.0189 0.0181
Echinococcus multilocularis snurportin 1 0.0311 0.2904 0.4331
Loa Loa (eye worm) hypothetical protein 0.0048 0.0329 0.0372
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0048 0.0054
Mycobacterium tuberculosis Conserved hypothetical protein 0.0055 0.0398 0.0448
Loa Loa (eye worm) hypothetical protein 0.0055 0.0395 0.0446
Entamoeba histolytica hypothetical protein 0.0036 0.0213 0.357
Leishmania major hypothetical protein, conserved 0.0164 0.1469 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0142 0.0665
Trypanosoma brucei acyl transferase-like protein 0.0034 0.0195 0.1274
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0171 0.1538 0.1908
Echinococcus granulosus lamin dm0 0.0027 0.0124 0.0166
Plasmodium falciparum malonyl CoA-acyl carrier protein transacylase 0.0034 0.0195 0.1127
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.051 0.4014
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0213 0.03
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.058 0.5541 0.7036
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0055 0.0398 0.0448
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0816 0.7855 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0067 0.0165
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0329 0.0473
Entamoeba histolytica hypothetical protein 0.0036 0.0213 0.357
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0329 0.0473
Plasmodium falciparum acyl carrier protein 0.0055 0.0398 0.2916
Brugia malayi CXXC zinc finger family protein 0.0029 0.0141 0.0141
Loa Loa (eye worm) acyl carrier protein 0.0251 0.2318 0.262
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0084 0.0678 0.0807
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0396 0.06
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0142 0.0194
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0034 0.0189 0.0181
Onchocerca volvulus 0.095 0.9171 0.9646
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0439 0.4163 0.5183
Leishmania major GTP-binding protein, putative 0.0021 0.0067 0.0134
Schistosoma mansoni hypothetical protein 0.0055 0.0398 0.0576
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0034 0.0189 0.0181
Echinococcus granulosus intermediate filament protein 0.0027 0.0124 0.0166
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0088 0.0351
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.035 0.0396
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0546 0.5208 0.5208
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0055 0.0398 0.0448
Loa Loa (eye worm) hypothetical protein 0.0019 0.0048 0.0054
Brugia malayi mbt repeat family protein 0.0048 0.0329 0.0329
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0034 0.0189 0.1227
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.058 0.5541 0.6981
Loa Loa (eye worm) hypothetical protein 0.0084 0.0678 0.0766
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.031 0.0444
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0395 0.0571
Trichomonas vaginalis conserved hypothetical protein 0.0164 0.1469 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0361 0.3396 0.4183
Entamoeba histolytica Ran family GTPase 0.0021 0.0067 0.0412
Onchocerca volvulus 0.051 0.4857 0.5046
Brugia malayi AMP-binding enzyme family protein 0.0168 0.1502 0.1502
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.031 0.0444
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.022
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0446 0.4233 0.5361
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.051 0.0745
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0329 0.0473
Mycobacterium ulcerans polyketide synthase MbtD 0.0168 0.1502 0.1863
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0067 0.0165
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.031 0.0444
Loa Loa (eye worm) fatty acid synthase 0.0539 0.5137 0.5807
Echinococcus granulosus NADH dehydrogenase 0.0055 0.0398 0.0576
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0048 0.0052
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0034 0.0189 0.0181
Trypanosoma brucei Trans-2-enoyl-ACP reductase 2, putative 0.0034 0.0189 0.1227
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0329 0.0473

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.46 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.