Detailed information for compound 1646611

Basic information

Technical information
  • TDR Targets ID: 1646611
  • Name: 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-methoxy phenyl)methyl]-1H-indole
  • MW: 510.221 | Formula: C24H18Br2N2O
  • H donors: 2 H acceptors: 0 LogP: 6.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C(c1c[nH]c2c1cc(Br)cc2)c1c[nH]c2c1cc(Br)cc2
  • InChi: 1S/C24H18Br2N2O/c1-29-17-6-2-14(3-7-17)24(20-12-27-22-8-4-15(25)10-18(20)22)21-13-28-23-9-5-16(26)11-19(21)23/h2-13,24,27-28H,1H3
  • InChiKey: YIXZXOAVQZOEAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCI60_028559

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) alcohol dehydrogenase class III 0.0013 0.0079 0.0089
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0206 0.5154 0.6547
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0018 0.0211 0.0171
Loa Loa (eye worm) hypothetical protein 0.0018 0.0211 0.0239
Loa Loa (eye worm) hypothetical protein 0.0013 0.0079 0.0089
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0219 0.549 0.6983
Loa Loa (eye worm) hypothetical protein 0.0013 0.0079 0.0089
Brugia malayi AMP-binding enzyme family protein 0.0064 0.1426 0.1401
Loa Loa (eye worm) hypothetical protein 0.0347 0.8853 1
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0013 0.0079 0.0101
Echinococcus multilocularis dnaJ subfamily B 0.0308 0.7831 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0083 0.1931 0.2394
Echinococcus multilocularis cpg binding protein 0.0023 0.0343 0.0438
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0211 0.0171
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0071 0.1603 0.1971
Loa Loa (eye worm) hypothetical protein 0.0013 0.0093 0.0105
Mycobacterium ulcerans polyketide synthase MbtD 0.0063 0.1406 0.1713
Toxoplasma gondii acyl transferase domain-containing protein 0.0013 0.0084 0.001
Leishmania major acyl carrier protein, putative 0.0021 0.0289 0.1626
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0013 0.0084 0.0053
Schistosoma mansoni intermediate filament proteins 0.002 0.0276 0.0254
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0052 0.1101 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0169 0.4168 0.5278
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0013 0.0093 0.0086
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0117 0.2819 0.3539
Loa Loa (eye worm) TAR-binding protein 0.0073 0.1655 0.187
Brugia malayi MH2 domain containing protein 0.0137 0.3347 0.3329
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0026 0.0427 0.0449
Schistosoma mansoni hypothetical protein 0.0308 0.7831 1
Echinococcus granulosus cpg binding protein 0.0023 0.0343 0.0438
Echinococcus multilocularis lamin dm0 0.002 0.0276 0.0352
Mycobacterium ulcerans thioesterase 0.0172 0.4252 0.5384
Mycobacterium leprae conserved hypothetical protein 0.0021 0.0289 0.0271
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0052 0.1101 1
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0013 0.0079 0.0006
Echinococcus multilocularis lamin 0.002 0.0276 0.0352
Mycobacterium ulcerans Type I modular polyketide synthase 0.0206 0.5154 0.6547
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0013 0.0079 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.013 0.3154 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0046 0.0947 0.112
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0021 0.0289 0.0262
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0211 0.1025
Toxoplasma gondii histone lysine methyltransferase SET1 0.0041 0.0819 0.1362
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0219 0.549 0.6983
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0052 0.1101 0.1319
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0032 0.0573 0.0643
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0211 0.0184
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0026 0.0427 0.0455
Mycobacterium leprae Probable polyketide synthase Pks1 0.0219 0.549 0.6981
Loa Loa (eye worm) acyl carrier protein 0.0095 0.2231 0.252
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1655 0.2034
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0219 0.549 0.6981
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0289 0.0278
Mycobacterium ulcerans polyketide synthase 0.0219 0.549 0.6981
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0032 0.0573 0.0643
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0018 0.0211 0.0177
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0427 0.0449
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0211 0.0171
Echinococcus granulosus lamin dm0 0.002 0.0276 0.0352
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0046 0.0943 0.1121
Loa Loa (eye worm) hypothetical protein 0.0032 0.0573 0.0647
Echinococcus multilocularis NADH dehydrogenase 0.0021 0.0289 0.0369
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0052 0.1101 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0032 0.0573 0.0643
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0021 0.0289 0.0278
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0063 0.1406 0.1718
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1655 0.2034
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0206 0.5154 0.655
Leishmania major hypothetical protein, conserved 0.0013 0.0084 0.0042
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0308 0.338
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0136 0.3321 0.4183
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0032 0.0573 0.0643
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0219 0.549 0.6981
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0013 0.0079 0.0006
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0052 0.1101 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.0943 0.1115
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0052 0.1101 0.7899
Loa Loa (eye worm) hypothetical protein 0.0013 0.0093 0.0105
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0211 0.0171
Mycobacterium ulcerans Type I modular polyketide synthase 0.0206 0.5154 0.6547
Treponema pallidum acyl carrier protein 0.0021 0.0289 0.5
Echinococcus granulosus intermediate filament protein 0.002 0.0276 0.0352
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0308 0.7831 1
Brugia malayi CXXC zinc finger family protein 0.0022 0.0311 0.0283
Mycobacterium ulcerans polyketide synthase 0.0206 0.5154 0.6547
Onchocerca volvulus 0.0022 0.0311 0.0246
Schistosoma mansoni cpg binding protein 0.0023 0.0343 0.0341
Mycobacterium tuberculosis Conserved protein 0.0062 0.1373 0.1675
Schistosoma mansoni [ACP] S-malonyltransferase 0.0013 0.0084 0.0007
Mycobacterium ulcerans fatty acid synthase Fas 0.0065 0.1443 0.1759
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1655 0.2034
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.0427 0.04
Loa Loa (eye worm) intermediate filament protein 0.002 0.0276 0.0312
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.1655 0.187
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0206 0.5154 0.655
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0052 0.1101 0.1244
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0105 0.2497 0.4452
Plasmodium vivax acyl carrier protein, putative 0.0021 0.0289 0.2016
Onchocerca volvulus 0.0018 0.0211 0.0141
Brugia malayi Methyltransferase-like protein 4 0.0062 0.1373 0.1348
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0026 0.0427 0.0455
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.003 0.0518 0.4269
Chlamydia trachomatis acyl carrier protein 0.0021 0.0289 0.2016
Toxoplasma gondii type I fatty acid synthase, putative 0.022 0.551 1
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0026 0.0427 0.0449
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0166 0.4097 0.5183
Echinococcus granulosus AMP dependent ligase 0.0022 0.0308 0.0394
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0211 0.0177
Schistosoma mansoni hypothetical protein 0.0021 0.0289 0.0271
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0206 0.5154 0.6547
Brugia malayi Alcohol dehydrogenase class III 0.0013 0.0079 0.0051
Schistosoma mansoni lamin 0.002 0.0276 0.0254
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0046 0.0943 0.6681
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0206 0.5154 0.655
Entamoeba histolytica acyl-CoA synthetase, putative 0.0039 0.0758 1
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0052 0.1101 0.1882
Mycobacterium tuberculosis Probable oxidoreductase 0.0013 0.0079 0.0006
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0021 0.0289 0.0278
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0198 0.4936 0.5576
Schistosoma mansoni cpg binding protein 0.0023 0.0343 0.0341
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0026 0.0427 0.0449
Leishmania major hypothetical protein, conserved 0.0062 0.1373 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.2775 0.3134
Toxoplasma gondii type I fatty acid synthase 0.0032 0.0573 0.091
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0026 0.0427 0.0449
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0046 0.0943 0.1205
Toxoplasma gondii type I fatty acid synthase, putative 0.0147 0.3595 0.6474
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0013 0.0079 0.0051
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0013 0.0079 0.0006
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0013 0.0084 0.0007
Schistosoma mansoni [ACP] S-malonyltransferase 0.0013 0.0084 0.0007
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0018 0.0211 0.0171
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0022 0.0308 0.0296
Echinococcus multilocularis AMP dependent ligase 0.0022 0.0308 0.0394
Trypanosoma brucei acyl transferase-like protein 0.0013 0.0084 0.0053
Loa Loa (eye worm) acyl carrier protein 0.0021 0.0289 0.0327
Trypanosoma cruzi acyl transferase-like protein, putative 0.0013 0.0084 0.0053
Loa Loa (eye worm) hypothetical protein 0.002 0.0266 0.0301
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0018 0.0211 0.0171
Mycobacterium tuberculosis Possible dehydrogenase 0.0013 0.0079 0.0006
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0046 0.0943 0.1205
Onchocerca volvulus 0.002 0.0276 0.0209
Brugia malayi RNA binding protein 0.0073 0.1655 0.1632
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0021 0.0289 0.2059
Loa Loa (eye worm) hypothetical protein 0.0018 0.0211 0.0239
Echinococcus multilocularis tar DNA binding protein 0.0073 0.1655 0.2114
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0134 0.325 0.3231
Loa Loa (eye worm) fatty acid synthase 0.0203 0.5082 0.5741
Loa Loa (eye worm) hypothetical protein 0.0134 0.325 0.3671
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1655 0.2034
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0021 0.0289 0.0327
Mycobacterium leprae Polyketide synthase Pks13 0.0308 0.7831 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0018 0.0211 0.0171
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0034 0.0647 0.0731
Plasmodium vivax hypothetical protein, conserved 0.003 0.0518 0.4269
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0013 0.0079 0.0006
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.1655 0.1632
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0134 0.3253 0.5845
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0021 0.0289 0.2059
Brugia malayi Intermediate filament tail domain containing protein 0.002 0.0276 0.0248
Onchocerca volvulus 0.0026 0.0427 0.037
Mycobacterium ulcerans polyketide synthase Pks13 0.0308 0.7831 1
Echinococcus granulosus dnaJ subfamily B 0.0308 0.7831 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0084 0.0095
Plasmodium falciparum acyl-CoA synthetase 0.0013 0.0093 0.0086
Mycobacterium ulcerans Type I modular polyketide synthase 0.0206 0.5154 0.6547
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0013 0.0093 0.0018
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0013 0.0084 0.0108
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0211 0.0184
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0148 0.363 0.4585
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0032 0.0573 0.0637
Loa Loa (eye worm) hypothetical protein 0.0013 0.0079 0.0089
Loa Loa (eye worm) hypothetical protein 0.0013 0.0093 0.0105
Brugia malayi Phosphopantetheine attachment site family protein 0.0021 0.0289 0.0262
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0018 0.0211 0.0171
Schistosoma mansoni cpg binding protein 0.0022 0.0311 0.0299
Schistosoma mansoni [ACP] S-malonyltransferase 0.0013 0.0084 0.0007
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.0943 0.1115
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0013 0.0079 0.0006
Toxoplasma gondii acyl carrier protein ACP 0.0021 0.0289 0.0388
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0219 0.549 0.6981
Onchocerca volvulus 0.002 0.0276 0.0209
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0013 0.0079 0.0006
Echinococcus granulosus acyl carrier protein mitochondrial 0.0021 0.0289 0.0369
Brugia malayi intermediate filament protein 0.002 0.0276 0.0248
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.0943 0.1115
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0034 0.0647 0.0826
Loa Loa (eye worm) hypothetical protein 0.0032 0.0573 0.0647
Loa Loa (eye worm) hypothetical protein 0.0013 0.0093 0.0105
Onchocerca volvulus Fatty acid synthase homolog 0.0372 0.9498 1
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0052 0.1101 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0219 0.549 0.6983
Brugia malayi AMP-binding enzyme family protein 0.0198 0.4936 0.4922
Plasmodium falciparum acyl carrier protein 0.0021 0.0289 0.2016
Mycobacterium ulcerans polyketide synthase MbtC 0.0052 0.1101 0.1319
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0136 0.3321 0.4183
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0052 0.1101 0.1406
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0052 0.1101 0.1076
Loa Loa (eye worm) CXXC zinc finger family protein 0.0022 0.0311 0.0351
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.0647 0.0733
Mycobacterium ulcerans hypothetical protein 0.0018 0.0211 0.0171
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0034 0.0647 0.0826
Echinococcus multilocularis musashi 0.002 0.0276 0.0352
Toxoplasma gondii aldehyde dehydrogenase 0.0046 0.0943 0.1592
Trypanosoma cruzi acyl transferase-like protein 0.0013 0.0084 0.0053
Schistosoma mansoni methyltransferase-related 0.0062 0.1373 0.1669
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0013 0.0079 0.0006
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0026 0.0427 0.0455
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.1373 0.4208
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0065 0.1443 0.1759
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0065 0.1443 0.1764
Mycobacterium tuberculosis Polyketide synthase Pks2 0.02 0.4988 0.6336
Mycobacterium ulcerans hypothetical protein 0.0021 0.0289 0.0271
Echinococcus granulosus tar DNA binding protein 0.0073 0.1655 0.2114
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0021 0.0289 0.0369
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0211 0.1025
Mycobacterium tuberculosis Probable thioesterase TesA 0.0172 0.4252 0.5387
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0013 0.0079 0.0101
Loa Loa (eye worm) hypothetical protein 0.0013 0.0079 0.0089
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0026 0.0427 0.0455
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0052 0.1101 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.0647 0.0733
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0022 0.0308 0.0296
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0034 0.0647 0.0621
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0172 0.4252 0.5384
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.005 0.1065 0.1278
Onchocerca volvulus 0.0198 0.4936 0.5157
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0052 0.1101 1
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0026 0.0427 0.0449
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0166 0.4097 0.5183
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0013 0.0093 0.0025
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0021 0.0289 0.0278
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0013 0.0079 0.0006
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.3347 0.3781
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.002 0.0276 0.0312
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0166 0.4097 0.5183
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0011 0.0028 0.0032
Entamoeba histolytica acyl-coA synthetase, putative 0.0018 0.0211 0.1953
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0052 0.1101 0.1319
Schistosoma mansoni acyl carrier protein 0.0021 0.0289 0.0271
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.02 0.4988 0.6336
Loa Loa (eye worm) RNA binding protein 0.0073 0.1655 0.187
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0013 0.0079 0.0006
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0206 0.5154 0.6547
Leishmania major 4-coumarate:coa ligase-like protein 0.0018 0.0211 0.1025
Mycobacterium ulcerans thioesterase TesA 0.0172 0.4252 0.5384
Echinococcus granulosus NADH dehydrogenase 0.0021 0.0289 0.0369
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0308 0.0302
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0052 0.1101 0.1406
Loa Loa (eye worm) hypothetical protein 0.0013 0.0093 0.0105
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0198 0.4936 0.6269
Schistosoma mansoni aldehyde dehydrogenase 0.0046 0.0943 0.1115
Echinococcus granulosus lamin 0.002 0.0276 0.0352
Brugia malayi TAR-binding protein 0.0073 0.1655 0.1632
Schistosoma mansoni lamin 0.002 0.0276 0.0254
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0052 0.1101 0.1319
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0021 0.0289 0.0223
Mycobacterium ulcerans acyl carrier protein 0.0021 0.0289 0.0271
Onchocerca volvulus 0.0364 0.9299 0.9789
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0219 0.549 0.6981
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0206 0.5154 0.5141
Schistosoma mansoni aldehyde dehydrogenase 0.0046 0.0943 0.1115
Entamoeba histolytica acyl-CoA synthetase, putative 0.0018 0.0211 0.1953
Mycobacterium ulcerans acyl carrier protein 0.0021 0.0289 0.0271
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0013 0.0079 0.0051
Loa Loa (eye worm) hypothetical protein 0.0018 0.0211 0.0239
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0013 0.0084 0.0108
Mycobacterium ulcerans polyketide synthase Pks9 0.0136 0.3321 0.4183
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0034 0.0647 0.0826
Mycobacterium tuberculosis Hypothetical protein 0.0062 0.1373 0.1675
Mycobacterium tuberculosis Possible dehydrogenase 0.0013 0.0079 0.0006
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0013 0.0084 0.0056
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1655 0.2034
Brugia malayi AMP-binding enzyme family protein 0.0018 0.0211 0.0184
Giardia lamblia Methyltransferase like 2 0.0062 0.1373 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0034 0.0647 0.0733
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0034 0.0647 0.0826
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.3347 0.3781
Loa Loa (eye worm) hypothetical protein 0.002 0.0276 0.0312
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0308 0.0296
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0308 0.7831 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0018 0.0211 0.0171
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0021 0.0289 0.2059
Plasmodium vivax acyl-CoA synthetase, putative 0.0013 0.0093 0.0086

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by microdilution method ChEMBL. No reference
GI50 (functional) -7.082 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) -6.681 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) -6.671 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) -6.62 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) -6.509 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) -6.445 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
GI50 (functional) -6.439 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) -6.435 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) -6.404 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.292 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.091 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
IC50 (functional) = 2.3 umol Cytotoxicity against human MCF7 cells assessed as growth inhibition after 48 hrs by MTT assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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.

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