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

Hover on a compound node to display the structore

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

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.

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