Detailed information for compound 1186108

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 700.865 | Formula: C36H56N6O8
  • H donors: 3 H acceptors: 4 LogP: 2.97 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H](/C/1=N\OCCN(C)C)C)/C)OC(=O)N)OC)/C
  • InChi: 1S/C36H56N6O8/c1-22-18-26-32(38-14-15-41(5)6)28(43)21-27(33(26)44)39-35(45)23(2)12-11-13-29(47-9)34(50-36(37)46)25(4)20-24(3)31(30(19-22)48-10)40-49-17-16-42(7)8/h11-13,20-22,24,29-30,34,38H,14-19H2,1-10H3,(H2,37,46)(H,39,45)/b13-11-,23-12+,25-20+,40-31+/t22-,24+,29+,30+,34+/m1/s1
  • InChiKey: LZDYKDTUQSXINS-VSXMJLFMSA-N  


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
Mycobacterium leprae Probable lipase LipE 0.004 0.0203 1
Mycobacterium ulcerans lipase LipD 0.004 0.0203 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0174 0.043
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0104 0.5002
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0062 0.0056
Schistosoma mansoni hypothetical protein 0.01 0.0567 0.1406
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0062 0.284
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0174 0.043
Echinococcus granulosus GPCR family 2 0.01 0.0567 0.1395
Loa Loa (eye worm) nuclear factor I 0.0019 0.0081 0.0247
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0203 0.1365
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0006 0.0038
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0062 0.284
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0033 0.0028
Loa Loa (eye worm) hypothetical protein 0.0026 0.0121 0.0377
Echinococcus granulosus lamin dm0 0.0026 0.0123 0.0293
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0347 0.1122
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0104 0.5002
Trichomonas vaginalis esterase, putative 0.004 0.0203 0.1241
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0174 0.0168
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0059 0.0174
Echinococcus granulosus cpg binding protein 0.0035 0.0173 0.0416
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.01 0.0567 0.0561
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0524 0.13
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0032 0.0088
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0208
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.0023
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0203 0.0197
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0094 0.0219
Brugia malayi MH2 domain containing protein 0.0515 0.305 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0016 0.0059 0.0301
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0203 0.1241
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0524 0.1702
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0347 0.1122
Brugia malayi beta-lactamase family protein 0.004 0.0203 0.0647
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0062 0.1647
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0094 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0347 0.0861
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0203 0.0502
Echinococcus multilocularis dnaJ subfamily B 0.0468 0.2769 0.2765
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0104 0.5002
Brugia malayi mothers against decapentaplegic homolog 3 0.0016 0.0059 0.0174
Loa Loa (eye worm) hypothetical protein 0.004 0.0203 0.0647
Schistosoma mansoni cpg binding protein 0.0033 0.0162 0.04
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.039 0.0967
Schistosoma mansoni ap endonuclease 0.0022 0.0094 0.0231
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0094 0.5
Schistosoma mansoni Smad4 0.0016 0.0059 0.0145
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0524 0.1702
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0175 0.0433
Echinococcus multilocularis lamin 0.0026 0.0123 0.0118
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0063 0.0426
Schistosoma mansoni hypothetical protein 0.0217 0.1265 0.3142
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0094 0.4465
Echinococcus multilocularis lamin dm0 0.0026 0.0123 0.0118
Leishmania major hypothetical protein, conserved 0.004 0.0203 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.005 0.0145
Echinococcus multilocularis mothers against decapentaplegic 6 0.0016 0.0059 0.0053
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0175 0.0169
Schistosoma mansoni Smad4 0.0035 0.0175 0.0433
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0104 0.0324
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0203 1
Loa Loa (eye worm) hypothetical protein 0.0318 0.1867 0.6115
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0094 0.4465
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0123 0.0387
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0524 0.1289
Schistosoma mansoni smad1 5 8 and 0.0035 0.0175 0.0433
Loa Loa (eye worm) RNA binding protein 0.0064 0.0347 0.1122
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0062 0.1647
Onchocerca volvulus 0.0272 0.1593 0.9016
Schistosoma mansoni hypothetical protein 0.0468 0.2769 0.6878
Brugia malayi isocitrate dehydrogenase 0.0016 0.0062 0.0184
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0175 0.0556
Toxoplasma gondii exonuclease III APE 0.0022 0.0094 0.2591
Echinococcus granulosus mothers against decapentaplegic 6 0.0016 0.0059 0.0132
Echinococcus multilocularis microtubule associated protein 2 0.0678 0.4026 0.4023
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0062 0.284
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.0023
Loa Loa (eye worm) hypothetical protein 0.0301 0.1766 0.5784
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0021 0.0015
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0174 0.043
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.0023
Onchocerca volvulus 0.004 0.0203 0.1119
Loa Loa (eye worm) hypothetical protein 0.0023 0.0104 0.0324
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0006 0.0038
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0062 0.0139
Brugia malayi Pre-SET motif family protein 0.0035 0.0174 0.0552
Echinococcus multilocularis mothers against decapentaplegic 2 0.0016 0.0059 0.0053
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0094 0.0289
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0033 0.0068
Schistosoma mansoni smad1 5 8 and 0.0035 0.0175 0.0433
Schistosoma mansoni hypothetical protein 0.01 0.0567 0.1406
Echinococcus multilocularis smad 0.0035 0.0175 0.0169
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0203 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0104 0.0702
Onchocerca volvulus 0.0301 0.1766 1
Trichomonas vaginalis helicase, putative 0.0007 0.0009 0.0023
Loa Loa (eye worm) Smad1 0.0035 0.0175 0.0556
Plasmodium vivax hypothetical protein, conserved 0.004 0.0203 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0006 0.0038
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0347 0.0861
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0062 0.0415
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0203 0.1365
Schistosoma mansoni intermediate filament proteins 0.0026 0.0123 0.0305
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.0023
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0203 0.0647
Brugia malayi Latrophilin receptor protein 2 0.01 0.0567 0.1843
Schistosoma mansoni lamin 0.0026 0.0123 0.0305
Brugia malayi MH1 domain containing protein 0.0019 0.0081 0.0247
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0063 0.0426
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.0023
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0063 0.0426
Loa Loa (eye worm) hypothetical protein 0.0023 0.0104 0.0324
Brugia malayi latrophilin 2 splice variant baaae 0.0217 0.1265 0.4137
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0104 0.5002
Mycobacterium tuberculosis Conserved protein 0.004 0.0203 0.1365
Schistosoma mansoni microtubule-associated protein tau 0.0678 0.4026 1
Brugia malayi intermediate filament protein 0.0026 0.0123 0.0387
Schistosoma mansoni cpg binding protein 0.0035 0.0173 0.0428
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0104 0.5002
Toxoplasma gondii ABC1 family protein 0.004 0.0203 0.5801
Echinococcus granulosus lamin 0.0026 0.0123 0.0293
Mycobacterium ulcerans hypothetical protein 0.0023 0.0104 0.5002
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0104 0.5002
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0104 0.5002
Echinococcus multilocularis musashi 0.0026 0.0123 0.0118
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0347 0.0861
Loa Loa (eye worm) beta-lactamase 0.004 0.0203 0.0647
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0059 0.0174
Loa Loa (eye worm) hypothetical protein 0.004 0.0203 0.0647
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0041 0.0089
Onchocerca volvulus 0.0035 0.0174 0.0954
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0174 0.4947
Echinococcus granulosus smad 0.0035 0.0175 0.0421
Schistosoma mansoni hypothetical protein 0.01 0.0567 0.1406
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.0023
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0094 0.0554
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0203 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0062 0.0056
Loa Loa (eye worm) latrophilin receptor protein 2 0.01 0.0567 0.1843
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0175 0.0421
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.01 0.0567 0.0561
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0041 0.0036
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0203 0.049
Echinococcus multilocularis Smad4 0.0035 0.0175 0.0169
Loa Loa (eye worm) hypothetical protein 0.0026 0.0123 0.0387
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0062 0.0152
Brugia malayi beta-lactamase 0.004 0.0203 0.0647
Mycobacterium tuberculosis Conserved protein 0.004 0.0203 0.1365
Mycobacterium ulcerans beta-lactamase 0.004 0.0203 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0021 0.0051
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0104 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.0023
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0006 0.0038
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0318 0.1867 0.6115
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0524 0.0518
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0094 0.4465
Loa Loa (eye worm) MH2 domain-containing protein 0.0515 0.305 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0203 0.0647
Brugia malayi MH1 domain containing protein 0.0019 0.0081 0.0247
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0104 0.5002
Brugia malayi MH2 domain containing protein 0.0035 0.0175 0.0556
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0208
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0123 0.0387
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.1485 1
Loa Loa (eye worm) hypothetical protein 0.0217 0.1265 0.4137
Schistosoma mansoni hypothetical protein 0.0365 0.215 0.5339
Onchocerca volvulus 0.0026 0.0123 0.0669
Onchocerca volvulus 0.0023 0.0104 0.056
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0203 0.1241
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0345 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0123 0.0293
Echinococcus granulosus tar DNA binding protein 0.0064 0.0347 0.0849
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0021 0.0039
Loa Loa (eye worm) hypothetical protein 0.004 0.0203 0.0647
Brugia malayi MH1 domain containing protein 0.0035 0.0175 0.0556
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0062 0.0056
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0203 0.1365
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0203 0.1365
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.0107
Schistosoma mansoni ap endonuclease 0.0022 0.0094 0.0231
Mycobacterium leprae conserved hypothetical protein 0.004 0.0203 1
Echinococcus multilocularis cpg binding protein 0.0035 0.0173 0.0167
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0203 0.1365
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0094 0.8926
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0175 0.0556
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.0023
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.0023
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0104 0.0324
Brugia malayi MH1 domain containing protein 0.0035 0.0175 0.0556
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0104 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0033 0.009
Plasmodium vivax SET domain protein, putative 0.0035 0.0174 0.8527
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0162 0.0512
Mycobacterium ulcerans hypothetical protein 0.004 0.0203 1
Echinococcus granulosus dnaJ subfamily B 0.0468 0.2769 0.6874
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0006 0.0038
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0094 0.0631
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.005 0.0145
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0062 0.0184
Schistosoma mansoni hypothetical protein 0.0365 0.215 0.5339
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0524 0.1289
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0203 0.1241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0524 0.13
Loa Loa (eye worm) hypothetical protein 0.0019 0.0081 0.0247
Mycobacterium tuberculosis Conserved protein 0.004 0.0203 0.1365
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0203 0.0502
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0069 0.0464
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0062 0.284
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0203 0.1241
Loa Loa (eye worm) hypothetical protein 0.01 0.0567 0.1843
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0006 0.0038
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0006 0.0013
Brugia malayi beta-lactamase family protein 0.004 0.0203 0.0647
Trichomonas vaginalis set domain proteins, putative 0.0272 0.1593 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.0023
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0174 0.0418
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0104 0.5002
Echinococcus multilocularis geminin 0.0365 0.215 0.2145
Brugia malayi MH2 domain containing protein 0.0035 0.0175 0.0556
Loa Loa (eye worm) hypothetical protein 0.0016 0.0059 0.0174
Schistosoma mansoni Smad4 0.0016 0.0059 0.0145
Onchocerca volvulus 0.0033 0.0162 0.0886
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0069 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.0023
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0094 0.0289
Brugia malayi Pre-SET motif family protein 0.0239 0.1396 0.4567
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0069 0.3212
Brugia malayi Calcitonin receptor-like protein seb-1 0.0318 0.1867 0.6115
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0062 0.0056
Loa Loa (eye worm) hypothetical protein 0.004 0.0203 0.0647
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.0023
Loa Loa (eye worm) hypothetical protein 0.0023 0.0104 0.0324
Loa Loa (eye worm) hypothetical protein 0.0035 0.0174 0.0552
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0094 0.4465
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0524 0.13
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0347 0.0861
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0094 0.0554
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0347 0.0861
Echinococcus granulosus microtubule associated protein 2 0.0678 0.4026 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0094 0.4465
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0203 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0009 0.0023
Echinococcus granulosus Smad4 0.0035 0.0175 0.0421
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.01 0.0567 0.1395
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0208
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0174 0.0168
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0524 0.0518
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0069 0.3212
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0203 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0063 0.0426
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0006 0.0038
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0162 0.0388
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0104 0.5002
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.01 0.0567 0.1395
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0208
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0006 0.0038
Schistosoma mansoni smad1 5 8 and 0.0035 0.0175 0.0433
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0174 0.043
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0062 0.284
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0347 0.0342
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0094 0.4465
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0208
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.0023
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0175 0.0169
Schistosoma mansoni cpg binding protein 0.0035 0.0173 0.0428
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0104 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0009 0.0023
Loa Loa (eye worm) hypothetical protein 0.004 0.0203 0.0647
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0009 0.0023
Onchocerca volvulus 0.004 0.0203 0.1119
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0006 0.0038
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0203 0.1365
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0069 0.7193
Onchocerca volvulus 0.004 0.0203 0.1119
Brugia malayi TAR-binding protein 0.0064 0.0347 0.1122
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0203 0.1241
Brugia malayi CXXC zinc finger family protein 0.0033 0.0162 0.0512
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0062 0.284
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0006 0.0038
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.01 0.0567 0.1843
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0318 0.1867 0.6115
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0123 0.0387
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0117
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.0107
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0062 0.6359
Brugia malayi RNA binding protein 0.0064 0.0347 0.1122
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0175 0.0421
Brugia malayi Smad1 0.0035 0.0175 0.0556
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0094 0.0088
Loa Loa (eye worm) transcription factor SMAD2 0.0515 0.305 1
Brugia malayi hypothetical protein 0.0301 0.1766 0.5784
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0104 0.5002
Onchocerca volvulus 0.0026 0.0123 0.0669
Echinococcus granulosus geminin 0.0365 0.215 0.5333
Echinococcus multilocularis GPCR, family 2 0.01 0.0567 0.0561
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0094 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0006 0.0038
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0104 0.0702
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0104 0.5002
Schistosoma mansoni hypothetical protein 0.01 0.0567 0.1406
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0062 0.0184
Echinococcus granulosus mothers against decapentaplegic 2 0.0016 0.0059 0.0132
Schistosoma mansoni smad 0.0016 0.0059 0.0145
Schistosoma mansoni lamin 0.0026 0.0123 0.0305
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0009 0.0023
Schistosoma mansoni smad 0.0035 0.0175 0.0433
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0094 0.5
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0347 0.1122
Brugia malayi MH2 domain containing protein 0.0016 0.0059 0.0174
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0203 0.1365
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0239 0.1396 0.4567
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0104 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0203 0.0647
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0062 0.0056

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2500 nM Cytotoxicity against human SKBR3 cells after 72 hrs by celltiter-glo assay ChEMBL. 19405528
Kd (binding) > 100 uM Binding affinity to human recombinant HSP90 ChEMBL. 19405528

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19405528

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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