Detailed information for compound 1087150

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.312 | Formula: C20H23BrN2O3
  • H donors: 3 H acceptors: 3 LogP: 4.43 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(c(c1)/C=N/CCCCCCNC(=O)c1ccccc1O)O
  • InChi: 1S/C20H23BrN2O3/c21-16-9-10-18(24)15(13-16)14-22-11-5-1-2-6-12-23-20(26)17-7-3-4-8-19(17)25/h3-4,7-10,13-14,24-25H,1-2,5-6,11-12H2,(H,23,26)/b22-14+
  • InChiKey: BPFJWOCMZJYGCX-HYARGMPZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli 3-oxoacyl-[acyl-carrier-protein] synthase III Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans 3-oxoacyl-ACP synthase Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium falciparum beta-ketoacyl-ACP synthase III Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium ulcerans beta-ketoacyl synthase-like protein Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium berghei apicoplast beta-ketoacyl-acyl carrier protein synthase III precursor, putative Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium ulcerans 3-oxoacyl-ACP synthase Get druggable targets OG5_129509 All targets in OG5_129509
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase Get druggable targets OG5_129509 All targets in OG5_129509
Neospora caninum 3-oxoacyl-(acyl-carrier-protein) synthase III family protein, putative Get druggable targets OG5_129509 All targets in OG5_129509
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) Get druggable targets OG5_129509 All targets in OG5_129509
Chlamydia trachomatis oxoacyl-ACP synthase III Get druggable targets OG5_129509 All targets in OG5_129509
Plasmodium knowlesi beta-ketoacyl-acyl carrier protein synthase III precursor, putative Get druggable targets OG5_129509 All targets in OG5_129509
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Conserved hypothetical protein 3-oxoacyl-[acyl-carrier-protein] synthase III 317 aa 265 aa 26.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0169 0.0356
Schistosoma mansoni gabp alpha 0.0071 0.0856 0.1113
Toxoplasma gondii CAAX amino terminal protease family protein 0.0018 0.0098 0.027
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0169 0.021
Brugia malayi RNA, U transporter 1 0.008 0.0989 0.2086
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0169 0.021
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0561 0.0726
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1908 0.2498
Schistosoma mansoni hypothetical protein 0.0048 0.0534 0.069
Schistosoma mansoni ap endonuclease 0.0021 0.0132 0.0161
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0132 0.0184
Schistosoma mansoni inositol transporter 0.0037 0.0372 0.0478
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0132 0.0184
Plasmodium falciparum phd finger protein, putative 0.0028 0.0244 0.0343
Brugia malayi hypothetical protein 0.0012 0.0009 0.002
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0553 0.4436
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.1423 0.3547
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0351 0.045
Loa Loa (eye worm) hypothetical protein 0.0089 0.1125 0.2358
Loa Loa (eye worm) hypothetical protein 0.011 0.1423 0.2988
Plasmodium falciparum protease, putative 0.0018 0.0098 0.0069
Brugia malayi Thioredoxin reductase 0.0046 0.0495 0.1045
Schistosoma mansoni ap endonuclease 0.0021 0.0132 0.0161
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0132 0.033
Brugia malayi Ets-domain containing protein 0.0071 0.0856 0.1805
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0089 0.1125 0.1468
Echinococcus granulosus high affinity choline transporter 1 0.0338 0.4739 0.6223
Loa Loa (eye worm) hypothetical protein 0.011 0.1423 0.2988
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0169 0.0337
Trichomonas vaginalis set domain proteins, putative 0.028 0.39 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.085 0.1106
Giardia lamblia PHD finger protein 15 0.0028 0.0244 0.1717
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0244 0.0343
Toxoplasma gondii hypothetical protein 0.0018 0.0098 0.027
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0169 0.021
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.0856 0.1113
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.1349 0.2847
Plasmodium vivax glutathione reductase, putative 0.0046 0.0495 0.0814
Mycobacterium tuberculosis Conserved hypothetical protein 0.0018 0.0098 0.0037
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.0501 0.3921
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0351 0.2132
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.011 0.1423 0.3001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.1908 0.4026
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0238 0.1299
Echinococcus multilocularis cpg binding protein 0.003 0.0261 0.0331
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0495 0.064
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0236 0.1287
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0009 0.002
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0553 0.4436
Echinococcus multilocularis GPCR, family 2 0.0048 0.0534 0.069
Giardia lamblia Hypothetical protein 0.0089 0.1125 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0406 0.0521
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0495 0.064
Mycobacterium ulcerans beta-lactamase 0.011 0.1423 0.2553
Brugia malayi RNA recognition motif domain containing protein 0.007 0.085 0.1793
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1516 0.1464
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0331 0.0423
Echinococcus granulosus beta LACTamase domain containing family member 0.011 0.1423 0.1859
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0161 0.0734
Brugia malayi acetyltransferase, GNAT family protein 0.0171 0.2315 0.4885
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0169 0.021
Mycobacterium tuberculosis Probable hydrolase 0.011 0.1423 0.137
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0553 0.4436
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0061 0.0068
Loa Loa (eye worm) TAR-binding protein 0.007 0.085 0.1777
Schistosoma mansoni tar DNA-binding protein 0.007 0.085 0.1106
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0169 0.0356
Echinococcus granulosus importin subunit beta 1 0.0028 0.0238 0.0301
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0236 0.1287
Leishmania major hypothetical protein, conserved 0.011 0.1423 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0244 0.0496
Brugia malayi hypothetical protein 0.0028 0.0236 0.0499
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.0169 0.021
Schistosoma mansoni hypothetical protein 0.0048 0.0534 0.069
Loa Loa (eye worm) hypothetical protein 0.0037 0.0372 0.0767
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0169 0.021
Mycobacterium tuberculosis Probable lipase LipE 0.011 0.1423 0.137
Loa Loa (eye worm) hypothetical protein 0.0023 0.0169 0.0337
Mycobacterium ulcerans lipase LipD 0.011 0.1423 0.2553
Schistosoma mansoni tar DNA-binding protein 0.007 0.085 0.1106
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.011 0.1423 0.137
Trypanosoma brucei hypothetical protein, conserved 0.011 0.1423 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0009 0.002
Entamoeba histolytica CAAX prenyl protease family 0.0089 0.1125 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0169 0.0337
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0161 0.026
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0169 0.0356
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.011 0.1423 0.2988
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0013 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1908 0.2498
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0169 0.0356
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.0856 0.1789
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0236 0.1287
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0169 0.021
Schistosoma mansoni high-affinity choline transporter 0.0338 0.4739 0.6223
Loa Loa (eye worm) hypothetical protein 0.0028 0.0236 0.048
Onchocerca volvulus Alhambra homolog 0.0028 0.0244 0.0202
Loa Loa (eye worm) acetyltransferase 0.0171 0.2315 0.4875
Entamoeba histolytica hypothetical protein 0.0023 0.0161 0.0615
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0351 0.045
Echinococcus multilocularis peregrin 0.0033 0.0305 0.0389
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1908 0.2498
Loa Loa (eye worm) hypothetical protein 0.011 0.1423 0.2988
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0354 0.0453
Trichomonas vaginalis esterase, putative 0.011 0.1423 0.3547
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.085 0.1777
Schistosoma mansoni hypothetical protein 0.0536 0.7611 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0539 0.112
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0132 0.0519
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0723
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1516 0.1464
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1347 0.1294
Loa Loa (eye worm) hypothetical protein 0.0023 0.0169 0.0337
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0238 0.0483
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0132 0.0071
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0132 1
Echinococcus granulosus geminin 0.0536 0.7611 1
Leishmania major trypanothione reductase 0.0046 0.0495 0.319
Loa Loa (eye worm) RNA binding protein 0.007 0.085 0.1777
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.2052 0.433
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1908 0.2498
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0086 0.0101
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0354 0.0729
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.1423 0.3547
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0109 0.023
Brugia malayi glutathione reductase 0.0046 0.0495 0.1045
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0132 0.0278
Loa Loa (eye worm) hypothetical protein 0.0105 0.1349 0.2833
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0169 0.0356
Echinococcus granulosus GPCR family 2 0.0048 0.0534 0.069
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0681 0.4555
Brugia malayi hypothetical protein 0.0012 0.0009 0.002
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0495 0.319
Schistosoma mansoni tar DNA-binding protein 0.007 0.085 0.1106
Schistosoma mansoni hypothetical protein 0.0048 0.0534 0.069
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0169 0.0356
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0169 0.0356
Echinococcus granulosus sodium:myo inositol cotransporter 0.0037 0.0372 0.0478
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0132 0.0132
Schistosoma mansoni hypothetical protein 0.0048 0.0534 0.069
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0037 0.0372 0.0478
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0169 0.0337
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0534 0.1126
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0236 0.0329
Echinococcus granulosus histone acetyltransferase KAT2B 0.0166 0.2245 0.2942
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0244 0.0496
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1908 0.2498
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0238 0.1299
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.1423 1
Brugia malayi ecdysteroid receptor 0.0023 0.0169 0.0356
Leishmania major hypothetical protein, conserved 0.0028 0.0236 0.1287
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.0561 0.1303
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0354 0.0453
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0061 0.0068
Brugia malayi nuclear receptor NHR-88 0.0023 0.0169 0.0356
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0244 0.0309
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0383 0.5395 1
Schistosoma mansoni cpg binding protein 0.0028 0.0238 0.03
Brugia malayi Importin beta-1 subunit 0.0028 0.0238 0.0502
Brugia malayi jmjC domain containing protein 0.0093 0.1183 0.2497
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0495 0.1028
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.0856 0.1113
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0684 0.1426
Echinococcus multilocularis CAAX prenyl protease 2 0.0089 0.1125 0.1468
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0169 0.0356
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0169 0.0337
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0553 0.4436
Trypanosoma brucei CAAX amino terminal protease, putative 0.0089 0.1125 0.7813
Mycobacterium ulcerans hypothetical protein 0.0018 0.0098 0.0069
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.011 0.1423 0.2553
Chlamydia trachomatis hypothetical protein 0.0018 0.0098 0.0069
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0236 0.1287
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0169 0.0356
Plasmodium falciparum importin beta, putative 0.0028 0.0238 0.0332
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0171 0.2315 0.3033
Plasmodium falciparum thioredoxin reductase 0.0046 0.0495 0.0814
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0169 0.021
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0238 0.0301
Mycobacterium tuberculosis Conserved protein 0.011 0.1423 0.137
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0169 0.0356
Schistosoma mansoni hypothetical protein 0.0536 0.7611 1
Onchocerca volvulus 0.011 0.1423 0.3361
Onchocerca volvulus 0.0028 0.0238 0.0185
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.011 0.1423 0.137
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0553 0.4436
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0169 0.021
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0169 0.0356
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1908 0.2498
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0351 0.045
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0161 0.026
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0018 0.0098 0.0037
Echinococcus granulosus cpg binding protein 0.003 0.0261 0.0331
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0169 0.0356
Brugia malayi jmjC domain containing protein 0.0036 0.0354 0.0747
Brugia malayi Pre-SET motif family protein 0.0036 0.0351 0.0741
Schistosoma mansoni hypothetical protein 0.0299 0.4178 0.5484
Mycobacterium tuberculosis Probable conserved lipoprotein 0.011 0.1423 0.137
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0169 0.0356
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0037 0.0372 0.0478
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0132 0.0259
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0534 0.1126
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0351 0.045
Loa Loa (eye worm) hypothetical protein 0.011 0.1423 0.2988
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0132 0.0519
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0169 0.021
Onchocerca volvulus 0.0036 0.0351 0.049
Loa Loa (eye worm) hypothetical protein 0.0048 0.0534 0.1109
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0132 0.0519
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.2052 0.433
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0169 0.021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0351 0.045
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.0561 0.1303
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.1423 0.3547
Toxoplasma gondii thioredoxin reductase 0.0046 0.0495 0.319
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0495 0.0437
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0383 0.5395 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.1423 0.1859
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.5625 0.7388
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0351 0.045
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0018 0.0098 0.0037
Loa Loa (eye worm) hypothetical protein 0.0023 0.0169 0.0337
Schistosoma mansoni cpg binding protein 0.003 0.0261 0.0331
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0383 0.5395 1
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.1423 0.3547
Loa Loa (eye worm) hypothetical protein 0.0023 0.0169 0.0337
Brugia malayi TAR-binding protein 0.007 0.085 0.1793
Mycobacterium tuberculosis Conserved protein 0.011 0.1423 0.137
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.2052 0.4319
Loa Loa (eye worm) hypothetical protein 0.011 0.1423 0.2988
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0013 0.0005
Mycobacterium ulcerans integral membrane protein 0.0018 0.0098 0.0069
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0534 0.069
Brugia malayi CAAX amino terminal protease family protein 0.0089 0.1125 0.2373
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.4178 0.8813
Brugia malayi CXXC zinc finger family protein 0.0028 0.0238 0.0501
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0169 0.021
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0089 0.1125 0.1468
Echinococcus granulosus CAAX prenyl protease 2 0.0089 0.1125 0.1468
Plasmodium vivax SET domain protein, putative 0.0036 0.0351 0.0544
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.1183 0.1545
Toxoplasma gondii hypothetical protein 0.0018 0.0098 0.027
Brugia malayi Sodium:solute symporter family protein 0.0037 0.0372 0.0785
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0169 0.021
Plasmodium falciparum glutathione reductase 0.0046 0.0495 0.0814
Echinococcus multilocularis beta LACTamase domain containing family member 0.011 0.1423 0.1859
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0169 0.0356
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0132 0.0161
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0169 0.021
Mycobacterium ulcerans hypothetical protein 0.0018 0.0098 0.0069
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.0501 0.0824
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0132 0.0519
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0534 0.069
Echinococcus granulosus sodium:glucose cotransporter 0.0037 0.0372 0.0478
Onchocerca volvulus 0.0037 0.0372 0.0546
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0089 0.1125 0.2771
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0061 0.0068
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0383 0.5395 1
Onchocerca volvulus 0.011 0.1423 0.3361
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0089 0.1125 0.7813
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1347 0.1294
Echinococcus granulosus tar DNA binding protein 0.007 0.085 0.1106
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0169 0.021
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1347 0.1294
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0037 0.0372 0.0478
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0169 0.021
Schistosoma mansoni inositol transporter 0.0037 0.0372 0.0478
Loa Loa (eye worm) hypothetical protein 0.0338 0.4739 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1347 0.1294
Echinococcus granulosus snurportin 1 0.0299 0.4178 0.5484
Brugia malayi nuclear receptor RXR 0.0012 0.0009 0.002
Onchocerca volvulus 0.011 0.1423 0.3361
Loa Loa (eye worm) hypothetical protein 0.011 0.1423 0.2988
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.0169 0.021
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0169 0.021
Brugia malayi Fli-1 protein 0.0214 0.2942 0.6208
Loa Loa (eye worm) hypothetical protein 0.0028 0.0238 0.0484
Brugia malayi GH02984p 0.0338 0.4739 1
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.0169 0.021
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0244 0.1342
Brugia malayi Ets-domain containing protein 0.0071 0.0856 0.1805
Schistosoma mansoni cpg binding protein 0.003 0.0261 0.0331
Schistosoma mansoni tar DNA-binding protein 0.007 0.085 0.1106
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0169 0.021
Schistosoma mansoni sodium/solute symporter 0.0037 0.0372 0.0478
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0132 0.0132
Loa Loa (eye worm) beta-lactamase 0.011 0.1423 0.2988
Treponema pallidum hypothetical protein 0.0018 0.0098 0.5197
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0037 0.0372 0.2285
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0169 0.021
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1347 0.1294
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0534 0.069
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0244 0.1342
Mycobacterium ulcerans hypothetical protein 0.011 0.1423 0.2553
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.1183 0.1545
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.0501 0.4131
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0169 0.021
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0383 0.5395 0.5366
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0905 0.1179
Toxoplasma gondii exonuclease III APE 0.0021 0.0132 0.0519
Echinococcus multilocularis tar DNA binding protein 0.007 0.085 0.1106
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0161 0.026
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0236 0.0329
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0383 0.5395 1
Plasmodium vivax hypothetical protein, conserved 0.011 0.1423 0.2553
Mycobacterium leprae conserved hypothetical protein 0.011 0.1423 0.4477
Brugia malayi beta-lactamase family protein 0.011 0.1423 0.3001
Echinococcus multilocularis geminin 0.0536 0.7611 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0169 0.0337
Brugia malayi beta-lactamase family protein 0.011 0.1423 0.3001
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.1423 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0169 0.0337
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0061 0.0129
Mycobacterium tuberculosis Probable reductase 0.0104 0.1347 0.1294
Brugia malayi steroid hormone receptor 0.0023 0.0169 0.0356
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0713 0.0925
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0534 0.069
Leishmania major importin beta-1 subunit, putative 0.0023 0.0161 0.0734
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0132 0.0664
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0244 0.0309
Echinococcus granulosus dnaJ subfamily B 0.0399 0.5625 0.7388
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0169 0.021
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0171 0.2315 0.3033
Loa Loa (eye worm) hypothetical protein 0.006 0.0707 0.1475
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0037 0.0372 0.0478
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0169 0.0356
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0354 0.0453
Plasmodium vivax importin-beta 2, putative 0.0028 0.0238 0.0332
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0132 0.0161
Schistosoma mansoni ets-related 0.0214 0.2942 0.3858
Mycobacterium ulcerans esterase/lipase LipP 0.011 0.1423 0.2553
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0383 0.5395 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0169 0.021
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.1423 0.1859
Brugia malayi Bromodomain containing protein 0.0033 0.0305 0.0643
Echinococcus multilocularis snurportin 1 0.0299 0.4178 0.5484
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.0561 0.3675
Brugia malayi beta-lactamase 0.011 0.1423 0.3001
Loa Loa (eye worm) hypothetical protein 0.0023 0.0169 0.0337
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0169 0.0337
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0169 0.021
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0238 0.1299
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0169 0.0356
Loa Loa (eye worm) hypothetical protein 0.0153 0.2052 0.4319
Schistosoma mansoni coup transcription factor 0.0023 0.0169 0.021
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0169 0.021
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0169 0.021
Brugia malayi nuclear hormone receptor 0.0023 0.0169 0.0356
Echinococcus granulosus peregrin 0.0033 0.0305 0.0389
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0246 0.3407 0.7183
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0383 0.5395 1
Echinococcus granulosus sodium:glucose cotransporter 2 0.0037 0.0372 0.0478
Schistosoma mansoni hypothetical protein 0.0105 0.1349 0.1763
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0534 0.1109
Plasmodium vivax protease, putative 0.0018 0.0098 0.0069
Echinococcus multilocularis high affinity choline transporter 1 0.0338 0.4739 0.6223
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0169 0.021
Schistosoma mansoni hypothetical protein 0.0013 0.0013 0.0005
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0132 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0169 0.0337
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.1423 0.3547
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1516 0.1464
Mycobacterium tuberculosis Probable esterase LipL 0.011 0.1423 0.137
Onchocerca volvulus 0.028 0.39 1
Schistosoma mansoni importin beta-1 0.0028 0.0238 0.0301
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.0561 0.3675
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0495 0.0814
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0351 0.045
Mycobacterium tuberculosis Probable lipase LipD 0.011 0.1423 0.137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0169 0.0337
Brugia malayi hypothetical protein 0.0018 0.0093 0.0195
Mycobacterium tuberculosis Conserved protein 0.011 0.1423 0.137
Mycobacterium tuberculosis Probable integral membrane protein 0.0018 0.0098 0.0037
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0244 0.0309
Loa Loa (eye worm) fli-1 protein 0.0214 0.2942 0.62
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.1908 0.4014
Loa Loa (eye worm) glutathione reductase 0.0046 0.0495 0.1028
Loa Loa (eye worm) hypothetical protein 0.0023 0.0169 0.0337
Loa Loa (eye worm) hypothetical protein 0.0023 0.0169 0.0337
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0089 0.1125 0.7813
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0169 0.021
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0236 0.0329
Schistosoma mansoni hypothetical protein 0.0028 0.0244 0.0309
Brugia malayi Pre-SET motif family protein 0.0246 0.3407 0.7188
Toxoplasma gondii ABC1 family protein 0.011 0.1423 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1908 0.2498
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0561 0.0938
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0169 0.021
Echinococcus granulosus solute carrier family 5 0.0037 0.0372 0.0478
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1516 1
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0089 0.1125 0.7813
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0406 0.0521
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0132 0.0132
Mycobacterium leprae Probable lipase LipE 0.011 0.1423 0.4477
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0324 0.0414
Brugia malayi PHD-finger family protein 0.0028 0.0244 0.0514
Echinococcus multilocularis solute carrier family 5 0.0037 0.0372 0.0478
Brugia malayi RNA binding protein 0.007 0.085 0.1793
Trypanosoma brucei trypanothione reductase 0.0046 0.0495 0.319
Schistosoma mansoni hypothetical protein 0.0399 0.5625 0.7388

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12.53 ug ml-1 Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting ChEMBL. 19884012

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

1 literature reference was collected for this gene.

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