Detailed information for compound 406162

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1000.59 | Formula: C53H68ClN6O11-
  • H donors: 6 H acceptors: 8 LogP: 8.05 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCCCCCCCCCCC(=O)N[C@H](C1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(Oc3cc1cc(OCc1ccccc1)c3OC)c(c2)[N+](=O)[O-])NC(=O)[C@H](CC(C)C)N)C(=O)O.[Cl-]
  • InChi: 1S/C53H68N6O11.ClH/c1-5-6-7-8-9-10-11-12-19-24-46(60)57-48(53(64)65)47-38-31-44(69-33-36-22-17-14-18-23-36)49(68-4)45(32-38)70-43-26-25-37(30-42(43)59(66)67)29-41(55-50(61)39(54)27-34(2)3)51(62)56-40(52(63)58-47)28-35-20-15-13-16-21-35;/h13-18,20-23,25-26,30-32,34,39-41,47-48H,5-12,19,24,27-29,33,54H2,1-4H3,(H,55,61)(H,56,62)(H,57,60)(H,58,63)(H,64,65);1H/p-1/t39-,40+,41-,47?,48-;/m1./s1
  • InChiKey: BESBKAGJJUFKGG-GEQYXGATSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus expressed protein 0.0039 0.1059 0.1091
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0013 0.0016
Brugia malayi beta-lactamase family protein 0.0037 0.1021 0.1021
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0039 0.1059 0.1059
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0537 0.0537
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0008 0.0013 0.0051
Loa Loa (eye worm) hypothetical protein 0.0027 0.0676 0.0676
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0438 0.1751
Loa Loa (eye worm) oxidoreductase 0.0008 0.0013 0.0013
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0013 0.0021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.3029 0.3029
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.016 0.016
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.1021 0.1286
Schistosoma mansoni hypothetical protein 0.0184 0.6019 0.6019
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.1021 0.1286
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.1039 0.1069
Schistosoma mansoni bromodomain containing protein 0.0009 0.0054 0.0054
Brugia malayi MH2 domain containing protein 0.0008 0.0008 0.0008
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0089 0.0089
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0537 0.0537
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0676 0.1123
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0013 0.0013
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1514 0.1514
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0676 0.6461
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.1021 0.1286
Loa Loa (eye worm) DR-78 0.0011 0.0115 0.0115
Brugia malayi tailless protein 0.0011 0.0115 0.0115
Onchocerca volvulus 0.0008 0.0013 0.0125
Loa Loa (eye worm) hypothetical protein 0.0037 0.1021 0.1021
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0139 0.0231
Loa Loa (eye worm) hypothetical protein 0.0023 0.0537 0.0537
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0013 0.0013
Brugia malayi PHD-finger family protein 0.0009 0.0054 0.0054
Brugia malayi Bromodomain containing protein 0.0009 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0023 0.0537 0.0537
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0299 0.0299
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0537 0.0537
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.2142 0.7775
Toxoplasma gondii peptidylprolyl isomerase 0.0038 0.1028 0.3732
Schistosoma mansoni smad1 5 8 and 0.0008 0.0008 0.0008
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0537 0.0553
Brugia malayi MH2 domain containing protein 0.0008 0.0008 0.0008
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0676 0.0851
Loa Loa (eye worm) hypothetical protein 0.0016 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0037 0.1021 0.1021
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0.0013 0.0021
Echinococcus multilocularis nuclear receptor nhr 48 0.0011 0.0115 0.0115
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0438 0.1591
Echinococcus multilocularis GPCR, family 2 0.0016 0.0299 0.0299
Onchocerca volvulus 0.0033 0.0874 0.8564
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.0537 0.0537
Brugia malayi nuclear hormone receptor 0.0023 0.0537 0.0537
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0.0013 0.0021
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0537 0.0537
Trichomonas vaginalis esterase, putative 0.0037 0.1021 0.1696
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.1021 0.1021
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0537 0.0537
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Brugia malayi ecdysteroid receptor 0.0023 0.0537 0.0537
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0008 0.0008
Schistosoma mansoni cpg binding protein 0.0035 0.0939 0.0939
Loa Loa (eye worm) hypothetical protein 0.0037 0.1021 0.1021
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0013 0.0016
Echinococcus granulosus Smad4 0.0008 0.0008 0.0008
Brugia malayi nuclear receptor NHR-67 0.0011 0.0115 0.0115
Schistosoma mansoni hypothetical protein 0.0016 0.0299 0.0299
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0.0013 0.0046
Loa Loa (eye worm) hypothetical protein 0.002 0.0438 0.0438
Schistosoma mansoni hypothetical protein 0.0042 0.117 0.117
Schistosoma mansoni hypothetical protein 0.0035 0.0952 0.0952
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1021 0.1696
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0537 0.0553
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0537 0.0537
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0013 0.0013
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0013 0.0013
Onchocerca volvulus 0.0037 0.1021 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0676 0.6461
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.1039 0.1039
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0011 0.0115 0.0118
Trichomonas vaginalis bromodomain-containing protein, putative 0.0088 0.2755 0.4578
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.016 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1059 0.176
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0537 0.0537
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0299 0.0299
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.016 0.016
Mycobacterium ulcerans hypothetical protein 0.0037 0.1021 0.9823
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.117 0.1205
Onchocerca volvulus 0.0008 0.0013 0.0125
Brugia malayi hypothetical protein 0.0042 0.117 0.117
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0011 0.0115 0.0115
Echinococcus granulosus nuclear receptor nhr 48 0.0011 0.0115 0.0118
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0011 0.0115 0.1123
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.1039 0.1726
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.2148 0.2148
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0013 0.0013
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.0537 0.0537
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0537 0.0537
Brugia malayi nuclear hormone receptor family member odr-7 0.0011 0.0115 0.0115
Schistosoma mansoni hypothetical protein 0.0016 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.002 0.0438 0.0438
Echinococcus granulosus histone acetyltransferase KAT2B 0.0088 0.2755 0.2837
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0011 0.0115 0.0115
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0184 0.6019 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.1039 0.1726
Brugia malayi ecdysone receptor 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0023 0.0537 0.0537
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0676 0.0676
Onchocerca volvulus 0.0037 0.1021 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0013 0.0016
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.1028 0.1708
Mycobacterium tuberculosis Conserved protein 0.0037 0.1021 0.1286
Echinococcus multilocularis cpg binding protein 0.0035 0.0939 0.0939
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0037 0.1021 0.1021
Brugia malayi Nuclear hormone receptor E75 0.0011 0.0115 0.0115
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.1039 0.1726
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0537 0.0537
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0013 0.0016
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0008 0.0008
Plasmodium falciparum histone acetyltransferase GCN5 0.0081 0.2504 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1514 0.1514
Mycobacterium tuberculosis Conserved protein 0.0037 0.1021 0.1286
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0537 0.0553
Onchocerca volvulus 0.0023 0.0537 0.5265
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0676 0.1123
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0676 0.1123
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1021 0.1696
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0013 0.0021
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0537 0.0553
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0009 0.0054 0.0055
Loa Loa (eye worm) hypothetical protein 0.0008 0.0013 0.0013
Schistosoma mansoni cpg binding protein 0.0033 0.0874 0.0874
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0038 0.1028 0.1708
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0537 0.0537
Echinococcus granulosus histone acetyltransferase KAT2B 0.0291 0.9712 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0009 0.0054 0.0054
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0013 0.0016
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.04 0.0504
Loa Loa (eye worm) nuclear receptor NHR-67 0.0011 0.0115 0.0115
Mycobacterium leprae conserved hypothetical protein 0.0037 0.1021 1
Entamoeba histolytica hypothetical protein 0.0042 0.117 0.1944
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0537 0.0537
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0013 0.0016
Onchocerca volvulus 0.0027 0.0676 0.6621
Loa Loa (eye worm) acetyltransferase 0.03 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0676 0.0676
Loa Loa (eye worm) nuclear hormone receptor 0.0011 0.0115 0.0115
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0008 0.0025 0.0042
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1021 0.1696
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1514 0.1514
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.04 0.0504
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.04 0.0504
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0088 0.2755 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.016
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0676 0.1123
Loa Loa (eye worm) hypothetical protein 0.0035 0.0952 0.0952
Brugia malayi MH1 domain containing protein 0.0008 0.0008 0.0008
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0676 0.0676
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0537 0.0537
Echinococcus granulosus zinc finger protein 0.0009 0.0054 0.0055
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0537 0.0537
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0537 0.0553
Onchocerca volvulus 0.0037 0.1021 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0012 0.0139 0.0231
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0139 0.0231
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.6019 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.1021 0.1021
Loa Loa (eye worm) hypothetical protein 0.0027 0.0676 0.0676
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Brugia malayi nuclear receptor RXR 0.0011 0.0115 0.0115
Mycobacterium ulcerans lipase LipD 0.0037 0.1021 0.9823
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0676 0.0676
Mycobacterium tuberculosis Conserved protein 0.0037 0.1021 0.1286
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0676 0.6461
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0537 0.0537
Schistosoma mansoni coup transcription factor 0.0023 0.0537 0.0537
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.016 0.016
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0537 0.0537
Brugia malayi nuclear hormone receptor 0.0011 0.0115 0.0115
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0013 0.0016
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0.0013 0.0046
Schistosoma mansoni ap endonuclease 0.0038 0.1039 0.1039
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.03 1 1
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0115 0.0115
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0038 0.1028 0.1708
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0299 0.0299
Toxoplasma gondii propionate-CoA ligase 0.0008 0.0013 0.0046
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0023 0.0537 0.5265
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0013 0.0013
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.016 0.0165
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0008 0.0025 0.0042
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0088 0.2755 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0438 0.5
Brugia malayi nuclear receptor NHR-88 0.0023 0.0537 0.0537
Entamoeba histolytica hypothetical protein 0.0042 0.117 0.1944
Brugia malayi nuclear receptor RXR 0.0012 0.016 0.016
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0013 0.0021
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0011 0.0115 0.0115
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.1021 0.1021
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0676 0.6461
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0537 0.0537
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.1039 0.1039
Schistosoma mansoni Smad4 0.0008 0.0008 0.0008
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0008 0.0008
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0299 0.0299
Schistosoma mansoni smad 0.0008 0.0008 0.0008
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0013 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0537 0.0537
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0089 0.0092
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0537 0.0537
Onchocerca volvulus 0.0011 0.0115 0.1123
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0537 0.0537
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0084 0.0084
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.1039 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0676 0.6461
Loa Loa (eye worm) hypothetical protein 0.0023 0.0537 0.0537
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0537 0.0537
Echinococcus multilocularis expressed protein 0.0039 0.1059 0.1059
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0676 0.6461
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0537 0.0537
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0011 0.0115 0.0115
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0088 0.2755 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0537 0.0537
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0537 0.0537
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Echinococcus multilocularis Smad4 0.0008 0.0008 0.0008
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0537 0.0537
Echinococcus granulosus Nuclear hormone receptor HR96 0.0011 0.0115 0.0118
Plasmodium vivax SET domain containing protein 0.0008 0.0014 0.0049
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0537 0.0537
Loa Loa (eye worm) histone methyltransferase 0.001 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.016
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.1039 0.4148
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3029 0.3029
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0012 0.0139 0.0231
Brugia malayi MH2 domain containing protein 0.0116 0.3713 0.3713
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.1021 0.1051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0537 0.0537
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.002 0.002
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0008 0.0008
Schistosoma mansoni ap endonuclease 0.0038 0.1039 0.1039
Entamoeba histolytica acetyltransferase, GNAT family 0.0081 0.2504 0.416
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.1021 0.9823
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.1021 0.9823
Onchocerca volvulus 0.0011 0.0115 0.1123
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0008 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.016
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0537 0.0537
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0184 0.6019 1
Entamoeba histolytica hypothetical protein 0.0042 0.117 0.1944
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0184 0.6019 1
Brugia malayi hypothetical protein 0.0012 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0037 0.1021 0.1021
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.1039 0.1726
Toxoplasma gondii exonuclease III APE 0.0038 0.1039 0.377
Entamoeba histolytica DNA repair and recombination protein, putative 0.0184 0.6019 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0537 0.0537
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0184 0.6019 0.6197
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0013 0.0016
Toxoplasma gondii ABC1 family protein 0.0037 0.1021 0.3704
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0537 0.0537
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0537 0.0553
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0676 0.1123
Schistosoma mansoni bromodomain containing protein 0.0009 0.0054 0.0054
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.002 0.002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0537 0.0553
Brugia malayi beta-lactamase family protein 0.0037 0.1021 0.1021
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.016 0.016
Schistosoma mansoni cpg binding protein 0.0035 0.0939 0.0939
Loa Loa (eye worm) Smad1 0.0008 0.0008 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1021 0.1696
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1021 0.1021
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.1021 0.1286
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1021 0.1696
Brugia malayi steroid hormone receptor 0.0023 0.0537 0.0537
Brugia malayi nuclear receptor NHR-88 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0009 0.0054 0.0054
Brugia malayi MH1 domain containing protein 0.0008 0.0008 0.0008
Brugia malayi conserved hypotetical protein 0.0011 0.0115 0.0115
Leishmania major hypothetical protein, conserved 0.0037 0.1021 0.1696
Onchocerca volvulus Bile acid receptor homolog 0.0023 0.0537 0.5265
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0012 0.0139 0.0505
Onchocerca volvulus 0.0008 0.0013 0.0125
Loa Loa (eye worm) hypothetical protein 0.0023 0.0537 0.0537
Loa Loa (eye worm) hypothetical protein 0.0023 0.0537 0.0537
Echinococcus granulosus Nuclear hormone receptor HR96 0.0011 0.0115 0.0118
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0537 0.0537
Echinococcus granulosus cpg binding protein 0.0035 0.0939 0.0967
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.1021 0.1286
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.04 0.0504
Giardia lamblia Rrm3p helicase 0.0184 0.6019 1
Schistosoma mansoni nuclear receptor 0.0011 0.0115 0.0115
Schistosoma mansoni nuclear receptor nhr-48 0.0011 0.0115 0.0115
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0537 0.0537
Leishmania major acetyl-CoA synthetase, putative 0.0008 0.0013 0.0021
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.1039 1
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0013 0.0013
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0008 0.0013 0.0013
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0009 0.0038 0.0064
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1021 0.1696
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0184 0.6019 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0537 0.0537
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0023 0.0537 0.0537
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0008 0.0013 0.0013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0299 0.0308
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.3029 0.3029
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0011 0.0115 0.0115
Echinococcus granulosus thyroid hormone receptor alpha 0.0011 0.0115 0.0118
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0008 0.0013 0.0013
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.1039 0.377
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1021 0.1021
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0013 0.0016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3029 0.3029
Loa Loa (eye worm) beta-lactamase 0.0037 0.1021 0.1021
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0013 0.0021
Brugia malayi hypothetical protein 0.0011 0.0115 0.0115
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.1039 0.1726
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Brugia malayi Smad1 0.0008 0.0008 0.0008
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.03 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.1039 0.1726
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0038 0.1028 0.1708
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0299 0.0308
Leishmania major acetyl-CoA synthetase, putative 0.0008 0.0013 0.0021
Schistosoma mansoni nuclear receptor 0.0011 0.0115 0.0115
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0874 0.0874
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0676 0.6578
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.016
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1021 0.1696
Plasmodium vivax acetyl-CoA synthetase, putative 0.0008 0.0013 0.0046
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0011 0.0115 0.0115
Brugia malayi beta-lactamase 0.0037 0.1021 0.1021
Onchocerca volvulus Protein ultraspiracle homolog 0.0023 0.0537 0.5265
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0184 0.6019 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1021 0.1021
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.1039 0.1309
Loa Loa (eye worm) hypothetical protein 0.002 0.0438 0.0438
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0676 0.0851
Plasmodium vivax hypothetical protein, conserved 0.0037 0.1021 0.3704
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0008 0.0008
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.1039 0.1039
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.002 0.002
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0438 0.4149
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0184 0.6019 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0115 0.0115
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0952 0.0952
Echinococcus granulosus smad 0.0008 0.0008 0.0008
Schistosoma mansoni zinc finger protein 0.0009 0.0054 0.0054
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0115 0.0115
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0537 0.0537
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0115 0.0118
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0013 0.0021
Brugia malayi hypothetical protein 0.0011 0.0115 0.0115
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0011 0.0115 0.0115
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Giardia lamblia Histone acetyltransferase GCN5 0.0081 0.2504 0.416
Loa Loa (eye worm) hypothetical protein 0.0009 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.002 0.0438 0.0438
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0537 0.0537
Brugia malayi hypothetical protein 0.0012 0.016 0.016
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0537 0.0553
Brugia malayi CXXC zinc finger family protein 0.0033 0.0874 0.0874
Brugia malayi Nuclear hormone receptor E75 0.0011 0.0115 0.0115
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0088 0.2755 0.4578
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.7936 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.1039 0.1726
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0676 0.6461
Echinococcus multilocularis smad 0.0008 0.0008 0.0008
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.3713 0.3713
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0537 0.0537
Schistosoma mansoni zinc finger protein 0.0011 0.0115 0.0115
Trichomonas vaginalis rotamase, putative 0.0039 0.1059 0.176
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.3029 0.3029
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0184 0.6019 0.6019
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.1039 0.1726
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.117 0.117
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Schistosoma mansoni rotamase 0.0039 0.1059 0.1059
Echinococcus multilocularis zinc finger protein 0.0009 0.0054 0.0054
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0013 0.0016
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.016
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0537 0.0537
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.1039 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0537 0.0537
Mycobacterium ulcerans hypothetical protein 0.0027 0.0676 0.6461
Schistosoma mansoni hypothetical protein 0.0016 0.0299 0.0299
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.3029 0.3118
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.1021 0.1696
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0184 0.6019 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3029 0.3029
Brugia malayi nuclear hormone receptor family member nhr-6 0.0011 0.0115 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0537 0.0537
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.3713 0.3713
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0008 0.0013 0.0021
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0676 0.6578
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0008 0.0013 0.0021
Mycobacterium leprae Probable lipase LipE 0.0037 0.1021 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.0537 0.0553
Leishmania major pantothenate kinase subunit, putative 0.0009 0.0038 0.0064
Trichomonas vaginalis rotamase, putative 0.0038 0.1028 0.1708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0537 0.0537
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.117 0.117
Mycobacterium ulcerans beta-lactamase 0.0037 0.1021 0.9823
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0676 0.1123
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0537 0.0537
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0011 0.0115 0.1123
Entamoeba histolytica hypothetical protein 0.0042 0.117 0.1944
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0039 0.1059 0.1059
Schistosoma mansoni smad1 5 8 and 0.0008 0.0008 0.0008
Entamoeba histolytica hypothetical protein, conserved 0.0184 0.6019 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0537 0.0537
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.1021 0.1286
Loa Loa (eye worm) hypothetical protein 0.0023 0.0537 0.0537
Schistosoma mansoni hypothetical protein 0.0016 0.0299 0.0299
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0537 0.0537
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.016 0.016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0537 0.0537
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1514 0.1514
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.3029 0.3118
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0438 0.0552
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.1028 0.1708
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0013 0.0021
Onchocerca volvulus 0.0008 0.0013 0.0125
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.3029 0.3029
Schistosoma mansoni smad1 5 8 and 0.0008 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.002 0.0438 0.0438
Echinococcus granulosus GPCR family 2 0.0016 0.0299 0.0308
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0011 0.0115 0.0115
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.1021 0.1286
Brugia malayi orphan nuclear receptor NR2E1 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0008 0.0013 0.0013

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 4 ug ml-1 Minimum inhibitory concentration of the compound against vancomycin resistant Enterococci faecalis L560 strain was determined ChEMBL. 15664849
MIC (functional) = 8 ug ml-1 Minimum inhibitory concentration of the compound against vancomycin sensitive Enterococci faecalis L559 strain was determined ChEMBL. 15664849
MIC (functional) = 16 ug ml-1 Minimum inhibitory concentration of the compound against vancomycin resistant Enterococci faecium L2215 strain was determined ChEMBL. 15664849
MIC (functional) = 128 ug ml-1 Minimum inhibitory concentration of the compound against vancomycin resistant Staphylococcus aureus L613 strain was determined ChEMBL. 15664849
MIC (functional) = 256 ug ml-1 Minimum inhibitory concentration of the compound against vancomycin sensitive Enterococci faecium L568 strain was determined ChEMBL. 15664849

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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