Detailed information for compound 1247148

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.489 | Formula: C24H28N2O6
  • H donors: 1 H acceptors: 3 LogP: 2.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCN1C(c2ccco2)C(=C(C1=O)O)C(=O)c1ccc2c(c1)OCCO2)CC
  • InChi: 1S/C24H28N2O6/c1-3-25(4-2)10-6-11-26-21(18-7-5-12-30-18)20(23(28)24(26)29)22(27)16-8-9-17-19(15-16)32-14-13-31-17/h5,7-9,12,15,21,28H,3-4,6,10-11,13-14H2,1-2H3
  • InChiKey: ZQQKLZBMSAVRLZ-UHFFFAOYSA-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
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi beta-lactamase family protein 0.0079 0.0455 0.127
Brugia malayi Steroid receptor seven-up type 2 0.0043 0.0112 0.0314
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0128 0.0931 0.0924
Brugia malayi beta-lactamase 0.0079 0.0455 0.127
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0037 0.0048 0.0041
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0073 0.0402 0.1311
Loa Loa (eye worm) hypothetical protein 0.0161 0.1248 0.3485
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0043 0.0112 0.0314
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0161 0.1248 0.3485
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0187 0.0521
Loa Loa (eye worm) hypothetical protein 0.0055 0.0223 0.0619
Schistosoma mansoni nuclear hormone receptor 0.0043 0.0112 0.0207
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.031
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0112 0.0314
Entamoeba histolytica hypothetical protein 0.0072 0.039 0.5698
Mycobacterium leprae conserved hypothetical protein 0.0079 0.0455 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0048 0.0162 0.0155
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.0402 0.5913
Schistosoma mansoni steroid hormone receptor ad4bp 0.0043 0.0112 0.0207
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0402 0.1311
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.062 0.1201
Onchocerca volvulus Protein ultraspiracle homolog 0.0043 0.0112 0.0881
Trichomonas vaginalis esterase, putative 0.0079 0.0455 0.1534
Loa Loa (eye worm) hypothetical protein 0.0082 0.0489 0.1363
Schistosoma mansoni hypothetical protein 0.0033 0.0012 0.0009
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.009 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0112 0.0314
Echinococcus granulosus beta LACTamase domain containing family member 0.0079 0.0455 0.0448
Schistosoma mansoni hypothetical protein 0.0039 0.0076 0.0136
Loa Loa (eye worm) hypothetical protein 0.0156 0.1203 0.3359
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0194 0.0234
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0091 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0402 0.358 0.7005
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.009 0.1766
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.062 0.1201
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0079 0.0455 0.127
Echinococcus multilocularis expressed conserved protein 0.009 0.0561 0.0554
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0043 0.0112 0.0207
Schistosoma mansoni hypothetical protein 0.0039 0.0076 0.0136
Loa Loa (eye worm) hypothetical protein 0.0055 0.0223 0.0619
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.0112 0.0105
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0048 0.0162 0.0303
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.0223 0.056
Schistosoma mansoni cellular tumor antigen P53 0.0156 0.1203 0.2345
Schistosoma mansoni tar DNA-binding protein 0.0402 0.358 0.7005
Loa Loa (eye worm) RNA binding protein 0.0402 0.358 1
Schistosoma mansoni hypothetical protein 0.056 0.5108 1
Brugia malayi ecdysteroid receptor 0.0043 0.0112 0.0314
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0048 0.0041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.062 0.0613
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.031
Entamoeba histolytica acyl-coA synthetase, putative 0.0073 0.0402 0.5913
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0073 0.0402 0.1311
Loa Loa (eye worm) steroid hormone receptor 0.0043 0.0112 0.031
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0043 0.0112 0.0314
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.031
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0194 0.0234
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0167 0.5824
Leishmania major hypothetical protein, conserved 0.0049 0.0167 0.3515
Schistosoma mansoni hypothetical protein 0.0254 0.2149 0.4198
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0048 0.0162 0.0155
Brugia malayi glutaminase DH11.1 0.0287 0.2467 0.6889
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.0455 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0043 0.0112 0.031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0048 0.008
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.039 0.0384
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.062 0.1728
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0043 0.0112 0.0105
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0043 0.0112 0.0105
Loa Loa (eye worm) hypothetical protein 0.0079 0.0455 0.1267
Onchocerca volvulus 0.0079 0.0455 0.3742
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.009 0.1766
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.0402 0.8803
Schistosoma mansoni hypothetical protein 0.0051 0.0187 0.0352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.062 0.1201
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.062 0.1731
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0455 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.0112 0.0105
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0077 0.0439 0.0432
Loa Loa (eye worm) hypothetical protein 0.0079 0.0455 0.1267
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0043 0.0112 0.0314
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0073 0.0402 0.1311
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0043 0.0112 0.0105
Brugia malayi beta-lactamase family protein 0.0079 0.0455 0.127
Loa Loa (eye worm) hypothetical protein 0.0079 0.0455 0.1267
Schistosoma mansoni ap endonuclease 0.0041 0.009 0.0163
Brugia malayi hypothetical protein 0.0072 0.039 0.109
Schistosoma mansoni hypothetical protein 0.0072 0.039 0.0751
Schistosoma mansoni tar DNA-binding protein 0.0402 0.358 0.7005
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.0455 0.1534
Loa Loa (eye worm) hypothetical protein 0.0032 0.0007 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0043 0.0112 0.031
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.009 0.1766
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0187 0.0521
Loa Loa (eye worm) hypothetical protein 0.0037 0.0048 0.0131
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.009 0.0251
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0167 0.2125
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0402 0.1311
Loa Loa (eye worm) hypothetical protein 0.0091 0.0578 0.1611
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.1013 0.1006
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0043 0.0112 0.0207
Mycobacterium ulcerans lipase LipD 0.0079 0.0455 0.1534
Mycobacterium tuberculosis Probable hydrolase 0.0079 0.0455 0.0818
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.0112 0.0105
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0043 0.0112 0.0207
Echinococcus multilocularis protein patched 0.0041 0.0091 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0043 0.0112 0.031
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.1013 0.1006
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0402 0.358 1
Leishmania major hypothetical protein, conserved 0.0079 0.0455 1
Plasmodium vivax hypothetical protein, conserved 0.0079 0.0455 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0091 0.0084
Echinococcus multilocularis thyroid hormone receptor alpha 0.0297 0.2566 0.2561
Loa Loa (eye worm) hypothetical protein 0.0073 0.0402 0.1118
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.0122 0.0338
Brugia malayi RNA recognition motif domain containing protein 0.0402 0.358 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.0538 0.15
Brugia malayi Bromodomain containing protein 0.0161 0.1247 0.3484
Loa Loa (eye worm) bromodomain containing protein 0.0038 0.0061 0.0166
Schistosoma mansoni hypothetical protein 0.0039 0.0076 0.0136
Loa Loa (eye worm) glutaminase 2 0.0287 0.2467 0.6888
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0043 0.0112 0.0314
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0043 0.0112 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0043 0.0112 0.0314
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.039 0.0751
Schistosoma mansoni zinc finger protein 0.0042 0.01 0.0183
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0048 0.0041
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0043 0.0112 0.0105
Brugia malayi photoreceptor-specific nuclear receptor 0.0043 0.0112 0.0314
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0402 0.1311
Brugia malayi hypothetical protein 0.0049 0.0167 0.0468
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0617 0.1723
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0128 0.0931 0.0924
Echinococcus granulosus tar DNA binding protein 0.0402 0.358 0.3576
Echinococcus granulosus FTZ F1 alpha 0.0043 0.0112 0.0105
Mycobacterium tuberculosis Probable esterase LipL 0.0079 0.0455 0.0818
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0048 0.008
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.9153 0.9153
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.062 0.0613
Onchocerca volvulus 0.0043 0.0112 0.0881
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.0455 0.1534
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0112 0.0314
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0091 0.0084
Loa Loa (eye worm) hypothetical protein 0.0073 0.0402 0.1118
Loa Loa (eye worm) hypothetical protein 0.0049 0.0167 0.0464
Mycobacterium tuberculosis Conserved protein 0.0079 0.0455 0.0818
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0007 0.0016
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0043 0.0112 0.0207
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.009 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.0402 0.1118
Onchocerca volvulus Bile acid receptor homolog 0.0043 0.0112 0.0881
Mycobacterium leprae Probable lipase LipE 0.0079 0.0455 1
Echinococcus multilocularis tumor protein p63 0.1067 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.031
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0043 0.0112 0.0207
Schistosoma mansoni retinoic acid receptor RXR 0.0043 0.0112 0.0207
Brugia malayi RNA binding protein 0.0402 0.358 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0073 0.0402 0.0699
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0254 0.2149 0.2143
Mycobacterium tuberculosis Conserved protein 0.0079 0.0455 0.0818
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0455 1
Echinococcus multilocularis tar DNA binding protein 0.0402 0.358 0.3576
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0167 0.3515
Loa Loa (eye worm) hypothetical protein 0.0041 0.0091 0.025
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0043 0.0112 0.0105
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.0112 0.0105
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.009 0.0248
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0112 0.0314
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0079 0.0455 0.0818
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0048 0.008
Schistosoma mansoni hypothetical protein 0.0051 0.0187 0.0352
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0402 0.1122
Brugia malayi Bromodomain containing protein 0.0082 0.0488 0.1362
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0617 1
Brugia malayi CHE-14 protein 0.0041 0.0091 0.0253
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0043 0.0112 0.0105
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0043 0.0112 0.0105
Schistosoma mansoni zinc finger protein 0.0033 0.0012 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0043 0.0112 0.031
Loa Loa (eye worm) hypothetical protein 0.005 0.018 0.0499
Loa Loa (eye worm) glutaminase 0.0287 0.2467 0.6888
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0187 0.018
Toxoplasma gondii ABC1 family protein 0.0079 0.0455 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0187 0.0518
Brugia malayi follicle stimulating hormone receptor 0.0238 0.1996 0.5576
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0167 0.3515
Loa Loa (eye worm) hypothetical protein 0.0051 0.0187 0.0518
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0055 0.0223 0.0298
Schistosoma mansoni hypothetical protein 0.0051 0.0187 0.0352
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0091 0.0003
Echinococcus multilocularis beta LACTamase domain containing family member 0.0079 0.0455 0.0448
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.0402 0.5913
Echinococcus granulosus GPCR family 2 0.0051 0.0187 0.018
Echinococcus multilocularis geminin 0.056 0.5108 0.5105
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0194 0.0234
Echinococcus granulosus expressed conserved protein 0.009 0.0561 0.0554
Echinococcus multilocularis GPCR, family 2 0.0051 0.0187 0.018
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0043 0.0112 0.0105
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0079 0.0455 0.0818
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.031
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.1996 0.5574
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0402 0.1122
Brugia malayi Calcitonin receptor-like protein seb-1 0.0161 0.1248 0.3487
Schistosoma mansoni patched 1 0.0041 0.0091 0.0164
Onchocerca volvulus 0.0079 0.0455 0.3742
Mycobacterium ulcerans hypothetical protein 0.0079 0.0455 0.1534
Echinococcus multilocularis zinc finger protein 0.0042 0.01 0.0093
Loa Loa (eye worm) hypothetical protein 0.0095 0.0617 0.172
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.0455 0.0877
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.009 0.0083
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.0402 0.8803
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0077 0.0439 0.0432
Onchocerca volvulus 0.0073 0.0402 0.3298
Mycobacterium ulcerans glutaminase 0.0287 0.2467 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0048 0.008
Mycobacterium tuberculosis Probable lipase LipE 0.0079 0.0455 0.0818
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.0455 0.1534
Mycobacterium tuberculosis Probable lipase LipD 0.0079 0.0455 0.0818
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.009 0.0083
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0043 0.0112 0.031
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0055 0.0223 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.039 0.0384
Schistosoma mansoni thyroid hormone receptor 0.0297 0.2566 0.5017
Loa Loa (eye worm) hypothetical protein 0.0055 0.0223 0.0619
Echinococcus granulosus ecdysone induced protein 78C 0.0043 0.0112 0.0105
Schistosoma mansoni tar DNA-binding protein 0.0402 0.358 0.7005
Schistosoma mansoni glutaminase 0.0287 0.2467 0.4821
Loa Loa (eye worm) hypothetical protein 0.0079 0.0455 0.1267
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0167 0.3515
Loa Loa (eye worm) hypothetical protein 0.0055 0.0223 0.0619
Brugia malayi intermediate filament protein 0.0032 0.0007 0.0019
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0167 0.5824
Loa Loa (eye worm) TAR-binding protein 0.0402 0.358 1
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0007 0.0019
Schistosoma mansoni hypothetical protein 0.0044 0.0122 0.0226
Loa Loa (eye worm) hypothetical protein 0.011 0.0757 0.2111
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0073 0.0402 0.1311
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0167 0.2125
Mycobacterium ulcerans beta-lactamase 0.0079 0.0455 0.1534
Brugia malayi nuclear hormone receptor 0.0043 0.0112 0.0314
Schistosoma mansoni hypothetical protein 0.056 0.5108 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.0402 0.0699
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.0112 0.0207
Onchocerca volvulus 0.0156 0.1203 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0112 0.0314
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0161 0.1248 0.3487
Schistosoma mansoni hypothetical protein 0.0039 0.0076 0.0136
Loa Loa (eye worm) beta-lactamase 0.0079 0.0455 0.1267
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0079 0.0455 0.0818
Loa Loa (eye worm) hypothetical protein 0.0079 0.0455 0.1267
Entamoeba histolytica hypothetical protein 0.0072 0.039 0.5698
Brugia malayi nuclear receptor NHR-88 0.0043 0.0112 0.0314
Echinococcus multilocularis protein dispatched 1 0.0047 0.0147 0.014
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0187 0.018
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0079 0.0455 0.1534
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0402 0.1122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0043 0.0112 0.031
Plasmodium falciparum acyl-CoA synthetase 0.0055 0.0223 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0091 0.025
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0187 0.018
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0617 0.061
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0254 0.2149 0.2143
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.0402 0.8803
Schistosoma mansoni hypothetical protein 0.011 0.0757 0.147
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.009 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0043 0.0112 0.031
Mycobacterium tuberculosis Conserved protein 0.0079 0.0455 0.0818
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0112 0.0314
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0617 0.061
Loa Loa (eye worm) hypothetical protein 0.0152 0.1159 0.3235
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0043 0.0112 0.0314
Loa Loa (eye worm) hypothetical protein 0.0079 0.0455 0.1267
Echinococcus granulosus methyl CpG binding domain protein 2 0.0037 0.0048 0.0041
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.0455 0.1534
Brugia malayi steroid hormone receptor 0.0043 0.0112 0.0314
Echinococcus granulosus geminin 0.056 0.5108 0.5105
Echinococcus multilocularis FTZ F1 alpha 0.0043 0.0112 0.0105
Schistosoma mansoni coup transcription factor 0.0043 0.0112 0.0207
Onchocerca volvulus 0.0079 0.0455 0.3742
Loa Loa (eye worm) hypothetical protein 0.0055 0.0223 0.0619
Echinococcus multilocularis ecdysone induced protein 78C 0.0043 0.0112 0.0105
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.062 0.0613
Schistosoma mansoni tar DNA-binding protein 0.0402 0.358 0.7005
Mycobacterium ulcerans esterase/lipase LipP 0.0079 0.0455 0.1534
Schistosoma mansoni hypothetical protein 0.0051 0.0187 0.0352
Brugia malayi PHD-finger family protein 0.0053 0.0211 0.0588
Trichomonas vaginalis glutaminase, putative 0.0287 0.2467 1
Echinococcus granulosus zinc finger protein 0.0042 0.01 0.0093
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0631 0.1224
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.031
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.031
Schistosoma mansoni bromodomain containing protein 0.0136 0.1005 0.1956
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.0455 0.0877
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0112 0.0314
Schistosoma mansoni RAR-like nuclear receptor 0.0043 0.0112 0.0207
Entamoeba histolytica hypothetical protein 0.0072 0.039 0.5698
Mycobacterium ulcerans hypothetical protein 0.0073 0.0402 0.1311
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0187 0.018
Brugia malayi TAR-binding protein 0.0402 0.358 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0079 0.0455 0.1267
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0043 0.0112 0.0881
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0194 0.0234
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.009 0.1766
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.0455 0.1534
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.062 0.0613
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.031
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0502 0.4548 1
Schistosoma mansoni thyroid hormone receptor 0.0297 0.2566 0.5017
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0043 0.0112 0.0314
Schistosoma mansoni ap endonuclease 0.0041 0.009 0.0163
Plasmodium vivax acyl-CoA synthetase, putative 0.0055 0.0223 0.3648
Entamoeba histolytica hypothetical protein 0.0072 0.039 0.5698
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.0757 0.2114

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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