Detailed information for compound 1090922

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.422 | Formula: C22H22N2O3
  • H donors: 3 H acceptors: 3 LogP: 4.28 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1O)NCCCC/N=C/c1c(O)ccc2c1cccc2
  • InChi: 1S/C22H22N2O3/c25-20-10-4-3-9-18(20)22(27)24-14-6-5-13-23-15-19-17-8-2-1-7-16(17)11-12-21(19)26/h1-4,7-12,15,25-26H,5-6,13-14H2,(H,24,27)/b23-15+
  • InChiKey: QYSOCOHJOWWXNS-HZHRSRAPSA-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
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
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
Plasmodium berghei apicoplast beta-ketoacyl-acyl carrier protein synthase III precursor, putative 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
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 beta-lactamase family protein 0.0073 0.0663 0.1203
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.1676 0.3039
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0388 1
Brugia malayi intermediate filament protein 0.0055 0.0449 0.0815
Brugia malayi beta-lactamase family protein 0.0073 0.0663 0.1203
Brugia malayi Pre-SET motif family protein 0.0217 0.2369 0.4296
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0663 0.1195
Mycobacterium ulcerans hypothetical protein 0.0073 0.0663 0.1469
Mycobacterium leprae Probable lipase LipE 0.0073 0.0663 0.5
Echinococcus granulosus caspase 2 0.0066 0.0575 0.1005
Onchocerca volvulus 0.0073 0.0663 0.1944
Schistosoma mansoni sodium/solute symporter 0.004 0.0271 0.0609
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0214 0.0685
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0214 0.0685
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0214 0.0685
Loa Loa (eye worm) hypothetical protein 0.0362 0.4092 0.7422
Loa Loa (eye worm) hypothetical protein 0.0026 0.01 0.0179
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0166 0.0352
Mycobacterium tuberculosis Conserved protein 0.0073 0.0663 0.1195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0897 0.2149
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0214 0.2913
Schistosoma mansoni alpha-glucosidase 0.0136 0.1415 0.342
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.003 0.5
Schistosoma mansoni high-affinity choline transporter 0.0362 0.4092 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0663 0.1201
Loa Loa (eye worm) hypothetical protein 0.0053 0.0423 0.0767
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0111 0.019
Echinococcus granulosus lamin 0.0055 0.0449 0.0776
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0214 0.0388
Schistosoma mansoni hypothetical protein 0.0286 0.3188 0.7779
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0897 0.1593
Trichomonas vaginalis esterase, putative 0.0073 0.0663 0.2352
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0423 0.0729
Schistosoma mansoni alpha-glucosidase 0.0136 0.1415 0.342
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0663 1
Brugia malayi mbt repeat family protein 0.0046 0.0347 0.063
Loa Loa (eye worm) beta-lactamase 0.0073 0.0663 0.1201
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.025 0.0558
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0214 0.2913
Leishmania major hypothetical protein, conserved 0.0026 0.0111 0.1291
Mycobacterium ulcerans beta-lactamase 0.0073 0.0663 0.1469
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0423 0.0401
Mycobacterium ulcerans lipase LipD 0.0073 0.0663 0.1469
Entamoeba histolytica hypothetical protein 0.0038 0.025 0.6152
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0214 0.0685
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0897 0.1626
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0166 0.2154
Echinococcus multilocularis lamin dm0 0.0055 0.0449 0.0427
Echinococcus multilocularis apoptotic protease activating factor 1 0.0066 0.0575 0.0553
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0388 1
Brugia malayi Cell death protein 3 precursor 0.0066 0.0575 0.1042
Schistosoma mansoni hypothetical protein 0.0066 0.0575 0.1356
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.003 0.0052
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0663 0.1195
Onchocerca volvulus 0.0055 0.0449 0.1107
Brugia malayi PHD-finger family protein 0.0024 0.0084 0.0153
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0214 0.0685
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0057 0.0084
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0383 0.4344 0.5
Schistosoma mansoni bromodomain containing protein 0.0061 0.0527 0.1239
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0663 0.1469
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.025 0.0413
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0423 0.0401
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0214 0.5154
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0388 1
Onchocerca volvulus 0.004 0.0271 0.041
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0383 0.4344 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0214 0.0348
Loa Loa (eye worm) MBCTL1 0.0053 0.0423 0.0767
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0663 0.1195
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.049
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0663 0.1195
Onchocerca volvulus 0.0066 0.0575 0.1598
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0111 0.1291
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.025 0.0227
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.003 0.0007
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0383 0.4344 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0214 0.2913
Loa Loa (eye worm) hypothetical protein 0.0054 0.0437 0.0791
Loa Loa (eye worm) hypothetical protein 0.0073 0.0663 0.1201
Echinococcus multilocularis high affinity choline transporter 1 0.0362 0.4092 0.4078
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0388 1
Schistosoma mansoni intermediate filament proteins 0.0055 0.0449 0.1047
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0347 0.0797
Echinococcus multilocularis musashi 0.0055 0.0449 0.0427
Echinococcus granulosus sodium:myo inositol cotransporter 0.004 0.0271 0.0452
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0098 0.0963 0.1747
Onchocerca volvulus 0.0055 0.0449 0.1107
Echinococcus multilocularis sodium:myo inositol cotransporter 0.004 0.0271 0.0248
Schistosoma mansoni hypothetical protein 0.0038 0.025 0.0558
Trichomonas vaginalis set domain proteins, putative 0.0247 0.2724 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0111 0.1291
Schistosoma mansoni hypothetical protein 0.0098 0.0963 0.231
Loa Loa (eye worm) hypothetical protein 0.0073 0.0663 0.1201
Brugia malayi beta-lactamase 0.0073 0.0663 0.1203
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0214 0.0387
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0214 0.0685
Leishmania major hypothetical protein, conserved 0.0073 0.0663 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.2012 0.1994
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0347 0.0797
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0897 0.0877
Echinococcus granulosus lamin dm0 0.0055 0.0449 0.0776
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0152 0.0236
Loa Loa (eye worm) hypothetical protein 0.0026 0.01 0.0179
Echinococcus granulosus sodium:glucose cotransporter 2 0.004 0.0271 0.0452
Brugia malayi hypothetical protein 0.0026 0.0111 0.0202
Schistosoma mansoni lamin 0.0055 0.0449 0.1047
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0347 0.0628
Loa Loa (eye worm) STAT protein 0.0167 0.1783 0.3233
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0663 0.1469
Entamoeba histolytica hypothetical protein 0.0038 0.025 0.6152
Echinococcus multilocularis solute carrier family 5 0.004 0.0271 0.0248
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.1299 0.2355
Brugia malayi Bromodomain containing protein 0.0037 0.0239 0.0433
Echinococcus granulosus high affinity choline transporter 1 0.0362 0.4092 0.7411
Loa Loa (eye worm) hypothetical protein 0.0027 0.0112 0.0201
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0663 0.1574
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0449 0.0813
Schistosoma mansoni lamin 0.0055 0.0449 0.1047
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0112 0.0162
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0663 0.2352
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0663 0.2352
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.004 0.0271 0.0248
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0146 0.0264
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0486 0.0464
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0363 0.0835
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0035 0.0062
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0663 0.2352
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0166 0.0143
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.0523
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.003 0.0012
Brugia malayi STAT protein, DNA binding domain containing protein 0.0167 0.1783 0.3234
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0486 0.0843
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0897 0.1628
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1676 0.1657
Loa Loa (eye worm) hypothetical protein 0.0037 0.024 0.0433
Onchocerca volvulus 0.0073 0.0663 0.1944
Mycobacterium tuberculosis Conserved protein 0.0073 0.0663 0.1195
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.003 0.5
Trypanosoma brucei glucosidase, putative 0.0035 0.0214 0.2913
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0383 0.4344 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0897 0.2149
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0214 0.0685
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0057 0.0034
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0111 0.1291
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0212 0.0189
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0423 0.0984
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0347 0.0591
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0663 0.1469
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0212 0.0344
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0663 1
Onchocerca volvulus 0.0092 0.0884 0.2807
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0449 0.0813
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0663 0.1195
Loa Loa (eye worm) hypothetical protein 0.0073 0.0663 0.1201
Echinococcus granulosus survival motor neuron protein 1 0.0482 0.5513 1
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.1299 0.2355
Schistosoma mansoni hypothetical protein 0.002 0.0035 0.003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0897 0.1593
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0214 0.0685
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0347 0.0797
Loa Loa (eye worm) hypothetical protein 0.0073 0.0663 0.1201
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.004 0.0271 0.0452
Onchocerca volvulus 0.0247 0.2724 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0111 0.019
Onchocerca volvulus Cell death protein 3 homolog 0.0066 0.0575 0.1598
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0214 0.2913
Schistosoma mansoni inositol transporter 0.004 0.0271 0.0609
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.02
Loa Loa (eye worm) hypothetical protein 0.0046 0.0347 0.0628
Brugia malayi Pre-SET motif family protein 0.0031 0.0166 0.0301
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0383 0.4344 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1676 0.1657
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0057 0.0062
Brugia malayi mbt repeat family protein 0.0046 0.0347 0.063
Loa Loa (eye worm) hypothetical protein 0.0055 0.0449 0.0813
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.004 0.0271 0.3808
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0146 0.0266
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0663 1
Onchocerca volvulus 0.0046 0.0347 0.0709
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.2012 0.3623
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0663 0.5
Echinococcus multilocularis lamin 0.0055 0.0449 0.0427
Loa Loa (eye worm) hypothetical protein 0.0048 0.0363 0.0656
Echinococcus granulosus intermediate filament protein 0.0055 0.0449 0.0776
Onchocerca volvulus 0.0073 0.0663 0.1944
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0663 0.1166
Brugia malayi hypothetical protein 0.0038 0.025 0.0453
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0383 0.4344 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0575 0.1041
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0347 0.0325
Mycobacterium tuberculosis Conserved protein 0.0073 0.0663 0.1195
Echinococcus granulosus solute carrier family 5 0.004 0.0271 0.0452
Schistosoma mansoni alpha glucosidase 0.0035 0.0214 0.047
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.2369 0.4295
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0111 0.1291
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0663 0.1574
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.1676 0.304
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0383 0.4344 0.8139
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0663 0.1195
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0214 0.0192
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.003 0.0054
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0214 0.5154
Echinococcus granulosus sodium:glucose cotransporter 0.004 0.0271 0.0452
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0423 0.0768
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0466 0.533 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0214 0.0685
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.0363 0.0619
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.1676 0.3011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0897 0.2149
Loa Loa (eye worm) hypothetical protein 0.0069 0.0613 0.111
Onchocerca volvulus 0.0098 0.0963 0.3116
Brugia malayi MH2 domain containing protein 0.0127 0.1299 0.2357
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0347 0.0709
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0111 0.019
Schistosoma mansoni ap endonuclease 0.002 0.003 0.0016
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0383 0.4344 1
Echinococcus multilocularis survival motor neuron protein 1 0.0482 0.5513 0.5503
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0663 0.2352
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0347 0.0325
Loa Loa (eye worm) hypothetical protein 0.0482 0.5513 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0066 0.0575 0.1005
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0112 0.0089
Schistosoma mansoni hypothetical protein 0.0052 0.0412 0.0955
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0663 0.1201
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0663 0.1203
Loa Loa (eye worm) hypothetical protein 0.0073 0.0663 0.1201
Entamoeba histolytica fatty acid elongase, putative 0.005 0.0388 1
Entamoeba histolytica hypothetical protein 0.0038 0.025 0.6152
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0449 0.0815
Brugia malayi GH02984p 0.0362 0.4092 0.7422
Loa Loa (eye worm) hypothetical protein 0.0066 0.0575 0.1041
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0347 0.0591
Brugia malayi hypothetical protein 0.0066 0.0575 0.1042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0166 0.0352
Schistosoma mansoni ap endonuclease 0.002 0.003 0.0016
Schistosoma mansoni inositol transporter 0.004 0.0271 0.0609
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0363 0.0835
Entamoeba histolytica hypothetical protein 0.0038 0.025 0.6152
Echinococcus multilocularis caspase 2 0.0066 0.0575 0.0553
Echinococcus multilocularis sodium:glucose cotransporter 2 0.004 0.0271 0.0248
Schistosoma mansoni caspase-7 (C14 family) 0.0066 0.0575 0.1356
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.0363 0.0341
Loa Loa (eye worm) hypothetical protein 0.004 0.0267 0.0483
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0663 0.2352
Plasmodium vivax SET domain protein, putative 0.0031 0.0166 0.0316
Brugia malayi hypothetical protein 0.0482 0.5513 1
Toxoplasma gondii ABC1 family protein 0.0073 0.0663 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0663 0.1195
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0663 0.0642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0897 0.0877
Schistosoma mansoni survival motor neuron protein 0.0098 0.0963 0.231
Brugia malayi Sodium:solute symporter family protein 0.004 0.0271 0.0491
Brugia malayi Bromodomain containing protein 0.0073 0.0662 0.1201
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0423 0.0729

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.1 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.
 
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

1 literature reference was collected for this gene.

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