Detailed information for compound 400033

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1118.82 | Formula: C64H127N9O4S
  • H donors: 8 H acceptors: 4 LogP: 16.93 Rotable bonds: 63
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCCCCCCCCCCCCCCCCCN(C(=O)C(NC(=O)CNCCCNCCCCNCCCN)CCCCNC(=O)CCCCC1SC[C@H]2[C@@H]1NC(=O)N2)CCCCCCCCCCCCCCCCCC
  • InChi: 1S/C64H127N9O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-53-73(54-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)63(76)57(70-61(75)55-68-51-42-50-67-48-38-37-47-66-49-41-46-65)43-35-36-52-69-60(74)45-34-33-44-59-62-58(56-78-59)71-64(77)72-62/h57-59,62,66-68H,3-56,65H2,1-2H3,(H,69,74)(H,70,75)(H2,71,72,77)/t57?,58-,59?,62-/m0/s1
  • InChiKey: NTHUJFAZLLVAHI-ZXVBNTEJSA-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
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0359 0.0879
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0069 0.0744 0.3185
Brugia malayi nuclear hormone receptor 0.001 0.0025 0.0062
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0025 0.0062
Toxoplasma gondii hypothetical protein 0.0039 0.037 0.4427
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0144 0.1655 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0025 0.0049
Brugia malayi Muscle positioning protein 4 0.0015 0.0085 0.0215
Schistosoma mansoni survival motor neuron protein 0.0049 0.05 0.1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0104 0.1169 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0292 0.0736
Echinococcus multilocularis GPCR, family 2 0.0032 0.0292 0.0292
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0334 0.1242
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0347 0.0695
Schistosoma mansoni hypothetical protein 0.0037 0.0347 0.0695
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0025 0.0031
Brugia malayi steroid hormone receptor 0.001 0.0025 0.0062
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0187 0.2182 0.4368
Loa Loa (eye worm) hypothetical protein 0.0015 0.0085 0.0215
Loa Loa (eye worm) glutathione reductase 0.0041 0.04 0.1009
Loa Loa (eye worm) hypothetical protein 0.0016 0.0099 0.025
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0069 0.0744 0.149
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0025 0.0062
Trichomonas vaginalis glutathione reductase, putative 0.0014 0.0072 0.008
Echinococcus granulosus GPCR family 2 0.0032 0.0292 0.0584
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0359 0.0812
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0178 0.035
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0027 0.0223 0.0223
Echinococcus multilocularis survival motor neuron protein 1 0.0241 0.2844 0.2844
Entamoeba histolytica glycogen phosphorylase, putative 0.0333 0.3961 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0025 0.0062
Onchocerca volvulus 0.0027 0.0223 0.0533
Mycobacterium ulcerans integral membrane protein 0.0039 0.037 0.2038
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0292 0.0584
Trypanosoma brucei trypanothione reductase 0.0041 0.04 0.1553
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0025 0.0031
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.05 0.1261
Brugia malayi hypothetical protein 0.0241 0.2844 0.7181
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0144 0.1655 1
Onchocerca volvulus 0.0015 0.0085 0.0184
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0187 0.2182 0.4368
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0025 0.0025
Trichomonas vaginalis glycogen phosphorylase, putative 0.0333 0.3961 1
Loa Loa (eye worm) thioredoxin reductase 0.0041 0.04 0.1009
Echinococcus multilocularis protocadherin 11 0.0009 0.0012 0.0012
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0359 0.1361
Schistosoma mansoni hypothetical protein 0.0418 0.4994 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0099 0.025
Echinococcus multilocularis glycogen phosphorylase 0.0333 0.3961 0.3961
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.001 0.0026 0.0066
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0347 0.0695
Schistosoma mansoni coup transcription factor 0.001 0.0025 0.0049
Echinococcus granulosus protocadherin 11 0.0009 0.0012 0.0025
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0133 0.1851
Schistosoma mansoni hypothetical protein 0.0032 0.0292 0.0584
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0292 0.0292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0025 0.0062
Onchocerca volvulus Huntingtin homolog 0.0125 0.1425 0.3577
Echinococcus granulosus glycogen phosphorylase 0.0333 0.3961 0.7932
Schistosoma mansoni hypothetical protein 0.0032 0.0292 0.0584
Leishmania major hypothetical protein, conserved 0.0026 0.0213 0.0665
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0025 0.0025
Toxoplasma gondii thioredoxin reductase 0.0041 0.04 0.4875
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1386 0.3499
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0133 0.0235
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.001 0.0026 0.0066
Brugia malayi beta-NAC-like protein 0.0036 0.0334 0.0844
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0025 0.0062
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0069 0.0744 0.1794
Onchocerca volvulus 0.0016 0.0099 0.022
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0025 0.0049
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0094 0.1042 0.6201
Loa Loa (eye worm) hypothetical protein 0.0187 0.2182 0.5508
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0133 0.0305
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0031
Echinococcus granulosus CAAX prenyl protease 2 0.0187 0.2182 0.4368
Loa Loa (eye worm) hypothetical protein 0.001 0.0025 0.0062
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0133 0.0336
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0031
Giardia lamblia NADH oxidase lateral transfer candidate 0.0014 0.0072 0.0152
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0025 0.0049
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0223 0.0446
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0025 0.0025
Loa Loa (eye worm) histone methyltransferase 0.001 0.0021 0.0053
Mycobacterium ulcerans hypothetical protein 0.0039 0.037 0.2038
Loa Loa (eye worm) hypothetical protein 0.0241 0.2844 0.7181
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0025 0.0025
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0025 0.0049
Echinococcus multilocularis transcriptional factor nfil3:e4bp4 0.0009 0.0012 0.0012
Mycobacterium ulcerans hypothetical protein 0.0039 0.037 0.2038
Brugia malayi CXXC zinc finger family protein 0.0029 0.0256 0.0647
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0468 0.0938
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0025 0.0062
Entamoeba histolytica hypothetical protein 0.0037 0.0347 0.0847
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0025 0.0062
Echinococcus multilocularis ccaat enhancer binding protein delta ccaat enhancer binding protein beta 0.0009 0.0012 0.0012
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0025 0.0025
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0014 0.0072 0.0195
Schistosoma mansoni glycogen phosphorylase 0.0144 0.1655 0.3314
Echinococcus multilocularis MAM 0.0016 0.0099 0.0099
Schistosoma mansoni cpg binding protein 0.0031 0.0277 0.0554
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0072 0.0183
Trypanosoma cruzi trypanothione reductase, putative 0.0041 0.04 0.1553
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0025 0.0025
Brugia malayi hypothetical protein 0.0009 0.0012 0.0031
Schistosoma mansoni cpg binding protein 0.0031 0.0277 0.0554
Mycobacterium tuberculosis Probable reductase 0.0094 0.1042 0.6201
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0041 0.04 0.2224
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0181 0.2112 0.5333
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0359 0.072
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0025 0.0049
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0256 0.0647
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0025 0.0049
Brugia malayi hypothetical protein 0.0017 0.0101 0.0256
Echinococcus granulosus cpg binding protein 0.0031 0.0277 0.0554
Loa Loa (eye worm) TK/ALK protein kinase 0.0016 0.0099 0.025
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0025 0.0025
Onchocerca volvulus 0.0015 0.0085 0.0184
Brugia malayi Cell death specification protein 2 0.0009 0.0012 0.0031
Onchocerca volvulus 0.001 0.0025 0.0031
Echinococcus multilocularis CAAX prenyl protease 2 0.0187 0.2182 0.2182
Schistosoma mansoni hypothetical protein 0.0016 0.0099 0.0199
Loa Loa (eye worm) hypothetical protein 0.001 0.0025 0.0062
Entamoeba histolytica hypothetical protein 0.0037 0.0347 0.0847
Brugia malayi bZIP transcription factor family protein 0.0009 0.0012 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0468 0.0938
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0025 0.0049
Loa Loa (eye worm) hypothetical protein 0.001 0.0025 0.0062
Schistosoma mansoni glycogen phosphorylase 0.0333 0.3961 0.7932
Loa Loa (eye worm) hypothetical protein 0.001 0.0025 0.0062
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0025 0.0049
Brugia malayi Cell death specification protein 2 0.0009 0.0012 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0025 0.0062
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0009 0.0012 0.0012
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0021 0.0042
Echinococcus granulosus X box binding protein 1 0.0294 0.3488 0.6984
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0021 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0025 0.0062
Loa Loa (eye worm) hypothetical protein 0.0026 0.0213 0.0537
Schistosoma mansoni hypothetical protein 0.0016 0.0099 0.0199
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0025 0.0062
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0359 0.072
Onchocerca volvulus 0.0015 0.0085 0.0184
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.037 0.2038
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0133 0.0287
Echinococcus granulosus survival motor neuron protein 1 0.0241 0.2844 0.5696
Chlamydia trachomatis glycogen phosphorylase 0.0333 0.3961 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0009 0.0012 0.0025
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.0069 0.0744 0.3185
Plasmodium falciparum glutathione reductase 0.0041 0.04 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1425 0.3597
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0187 0.2182 1
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0025 0.0049
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0025 0.0062
Loa Loa (eye worm) hypothetical protein 0.001 0.0025 0.0062
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0069 0.0744 0.1794
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.1141 0.288
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0223 0.0446
Brugia malayi Hepatic leukemia factor 0.0009 0.0012 0.0031
Echinococcus multilocularis protocadherin 11 0.0009 0.0012 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0359 0.0812
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0359 0.1361
Brugia malayi hypothetical protein 0.0009 0.0012 0.0031
Loa Loa (eye worm) hypothetical protein 0.0032 0.0292 0.0736
Echinococcus granulosus transcriptional factor nfil3:e4bp4 0.0009 0.0012 0.0025
Loa Loa (eye worm) hypothetical protein 0.0015 0.0085 0.0215
Schistosoma mansoni hypothetical protein 0.0032 0.0292 0.0584
Echinococcus multilocularis cpg binding protein 0.0031 0.0277 0.0277
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0025 0.0062
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.0334 0.0815
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0359 0.072
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0072 0.3419
Brugia malayi glutathione reductase 0.0041 0.04 0.1009
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0347 0.0347
Schistosoma mansoni thyroid hormone receptor 0.001 0.0025 0.0049
Echinococcus multilocularis glycogen phosphorylase 0.0333 0.3961 0.3961
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0359 0.1361
Toxoplasma gondii hypothetical protein 0.0039 0.037 0.4427
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0178 0.035
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.04 0.04
Brugia malayi Peptidase family M48 containing protein 0.0069 0.0744 0.1878
Loa Loa (eye worm) bZIP transcription factor family protein 0.0009 0.0012 0.0031
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0025 0.0062
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0334 0.0748
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0292 0.0736
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0359 0.0359
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0359 0.0879
Entamoeba histolytica glycogen phosphorylase, putative 0.0333 0.3961 1
Mycobacterium tuberculosis Probable integral membrane protein 0.0039 0.037 0.2038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0025 0.0062
Trichomonas vaginalis set domain proteins, putative 0.0206 0.2417 0.6061
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0025 0.0049
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0223 0.0446
Brugia malayi MH2 domain containing protein 0.0122 0.1386 0.3499
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.0069 0.0744 0.3185
Brugia malayi hypothetical protein 0.0026 0.0213 0.0537
Schistosoma mansoni thyrotroph embryonic factor related 0.0009 0.0012 0.0025
Loa Loa (eye worm) hypothetical protein 0.007 0.0748 0.1888
Echinococcus granulosus dnaJ subfamily B 0.0418 0.4994 1
Loa Loa (eye worm) peptidase family M48 containing protein 0.0069 0.0744 0.1878
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0213 0.2089
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0025 0.0062
Echinococcus multilocularis dnaJ subfamily B 0.0418 0.4994 0.4994
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0009 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.001 0.0025 0.0062
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0133 0.0287
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0334 0.0748
Echinococcus granulosus transcription factor btf3 0.0036 0.0334 0.0669
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0072 0.0145
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0031
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0359 0.0907
Toxoplasma gondii CAAX amino terminal protease family protein 0.0039 0.037 0.4427
Loa Loa (eye worm) hypothetical protein 0.0038 0.0359 0.0907
Echinococcus multilocularis transcription factor btf3 0.0036 0.0334 0.0334
Schistosoma mansoni transcriptional factor nfil3/e4bp4 0.0009 0.0012 0.0025
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0072 0.0145
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0133 0.2038
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0025 0.0049
Brugia malayi Protein kinase domain containing protein 0.0016 0.0099 0.025
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0359 0.0359
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0025 0.0062
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0334 0.3898
Brugia malayi hypothetical protein 0.0037 0.0347 0.0876
Onchocerca volvulus 0.0049 0.05 0.1234
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0025 0.0049
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0213 0.4285
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0213 0.4285
Onchocerca volvulus 0.0015 0.0085 0.0184
Brugia malayi Thioredoxin reductase 0.0041 0.04 0.1009
Brugia malayi Cell death specification protein 2 0.0009 0.0012 0.0031
Trypanosoma brucei CAAX amino terminal protease, putative 0.0187 0.2182 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0031
Brugia malayi SEA domain containing protein 0.0015 0.0085 0.0215
Onchocerca volvulus 0.0029 0.0256 0.0618
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0072 0.0072
Plasmodium falciparum protease, putative 0.0039 0.037 0.9082
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.037 0.2038
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0213 0.0665
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0292 0.0292
Giardia lamblia Hypothetical protein 0.0187 0.2182 0.5493
Loa Loa (eye worm) glycogen phosphorylase 0.0333 0.3961 1
Onchocerca volvulus Huntingtin homolog 0.0125 0.1425 0.3577
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0094 0.1042 0.6201
Plasmodium falciparum thioredoxin reductase 0.0041 0.04 1
Toxoplasma gondii CAAX metallo endopeptidase 0.0069 0.0744 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0133 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0133 0.0902
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0025 0.0062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0468 0.0938
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0213 0.0665
Loa Loa (eye worm) hypothetical protein 0.001 0.0025 0.0062
Chlamydia trachomatis hypothetical protein 0.0039 0.037 0.0765
Treponema pallidum hypothetical protein 0.0039 0.037 1
Schistosoma mansoni hypothetical protein 0.0009 0.0012 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0025 0.0062
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0025 0.0025
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0014 0.0072 0.0195
Brugia malayi CAAX amino terminal protease family protein 0.0187 0.2182 0.5508
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0334 0.0748
Loa Loa (eye worm) DOMON domain-containing protein 0.0015 0.0085 0.0215
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0213 0.0665
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0025 0.0062
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0094 0.1042 0.6201
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0133 0.0287
Brugia malayi nuclear receptor NHR-88 0.001 0.0025 0.0062
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0025 0.0049
Brugia malayi hypothetical protein 0.0125 0.1425 0.3597
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0292 0.0736
Echinococcus granulosus MAM 0.0016 0.0099 0.0199
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0187 0.2182 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0187 0.2182 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0588 0.7678
Schistosoma mansoni cpg binding protein 0.0029 0.0256 0.0513
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0468 0.0938
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0748 0.1888
Loa Loa (eye worm) hypothetical protein 0.0102 0.1141 0.288
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0014 0.0072 0.0195
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0027 0.0223 0.2241
Mycobacterium tuberculosis Probable dehydrogenase 0.0094 0.1042 0.6201
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0468 0.1183
Brugia malayi Pre-SET motif family protein 0.0181 0.2112 0.5333
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0094 0.1042 0.887
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0133 0.0571
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.0069 0.0744 0.3185
Echinococcus multilocularis cyclic AMP responsive element binding protein 0.0009 0.0012 0.0012
Entamoeba histolytica glycogen phosphorylase, putative 0.0144 0.1655 0.416
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0031
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0334 0.1242
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0025 0.0062
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.1141 0.288
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0359 0.1361
Brugia malayi hypothetical protein 0.0009 0.0012 0.0031
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0133 0.0305
Brugia malayi hypothetical protein 0.0016 0.0099 0.025
Schistosoma mansoni hypothetical protein 0.0032 0.0292 0.0584
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0133 0.0287
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0027 0.0223 0.0446
Echinococcus granulosus glycogen phosphorylase 0.0333 0.3961 0.7932
Loa Loa (eye worm) hypothetical protein 0.0125 0.1425 0.3597
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0025 0.0049
Brugia malayi ecdysteroid receptor 0.001 0.0025 0.0062
Schistosoma mansoni par domain protein 0.0009 0.0012 0.0025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0468 0.0938
Echinococcus granulosus caax prenyl protease 1 0.0069 0.0744 0.149
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0025 0.0062
Schistosoma mansoni hypothetical protein 0.0012 0.004 0.0079
Onchocerca volvulus Glycogen phosphorylase homolog 0.0333 0.3961 1
Onchocerca volvulus 0.0206 0.2417 0.609
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0359 0.072
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0025 0.0049
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0025 0.0049
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0468 0.1183
Echinococcus granulosus histone lysine methyltransferase setb 0.0027 0.0223 0.0446
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0359 0.0812
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.037 0.2038
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0104 0.1169 0.6991
Leishmania major basic transcription factor 3a, putative 0.0036 0.0334 0.1242
Schistosoma mansoni glycogen phosphorylase 0.0333 0.3961 0.7932
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0133 0.1851
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0025 0.0062
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0025 0.0031
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.04 0.0801
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0133 0.0235
Schistosoma mansoni hypothetical protein 0.0294 0.3488 0.6984
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.1141 0.288
Loa Loa (eye worm) cell death specification protein 2 0.0009 0.0012 0.0031
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0133 0.0336
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0359 0.072
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1386 0.3499
Schistosoma mansoni ap endonuclease 0.0019 0.0133 0.0266
Echinococcus granulosus FTZ F1 alpha 0.001 0.0025 0.0049
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0133 0.0133
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0025 0.0062
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0334 0.0844
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0292 0.0584
Echinococcus granulosus protocadherin 11 0.0009 0.0012 0.0025
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0025 0.0203 0.0407
Echinococcus granulosus Glycosyl transferase family 35 0.0333 0.3961 0.7932
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0334 0.1242
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0468 0.0468
Brugia malayi carbohydrate phosphorylase 0.0333 0.3961 1
Plasmodium vivax protease, putative 0.0039 0.037 0.9082
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0025 0.0062
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0025 0.0025
Schistosoma mansoni nuclear hormone receptor 0.001 0.0025 0.0049
Entamoeba histolytica hypothetical protein 0.0037 0.0347 0.0847
Trichomonas vaginalis mercuric reductase, putative 0.0014 0.0072 0.008
Mycobacterium tuberculosis Probable oxidoreductase 0.0104 0.1169 0.6991
Entamoeba histolytica CAAX amino terminal protease family 0.0039 0.037 0.0905
Echinococcus granulosus ccaat enhancer binding protein delta 0.0009 0.0012 0.0025
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0359 0.0359
Trichomonas vaginalis glycogen phosphorylase, putative 0.0333 0.3961 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0223 0.0563
Leishmania major trypanothione reductase 0.0041 0.04 0.1553
Entamoeba histolytica hypothetical protein 0.0037 0.0347 0.0847
Onchocerca volvulus 0.0016 0.0099 0.022
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.004 0.004
Entamoeba histolytica glycogen phosphorylase, putative 0.0144 0.1655 0.416
Schistosoma mansoni hypothetical protein 0.0015 0.0085 0.017
Schistosoma mansoni hypothetical protein 0.0049 0.05 0.1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0025 0.0049
Entamoeba histolytica hypothetical protein 0.0036 0.0334 0.0815
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0104 0.1169 0.6991
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0133 0.0571
Entamoeba histolytica CAAX prenyl protease, putative 0.0069 0.0744 0.1853
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0468 0.0468
Plasmodium vivax SET domain protein, putative 0.0027 0.0223 0.4597
Entamoeba histolytica CAAX prenyl protease family 0.0187 0.2182 0.5493
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.004 0.0079
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0187 0.2182 0.5461
Onchocerca volvulus 0.0015 0.0085 0.0184
Echinococcus multilocularis Glycosyl transferase, family 35 0.0333 0.3961 0.3961
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0669 0.134
Giardia lamblia Glycogen phosphorylase 0.0333 0.3961 1
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0334 0.7997
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0014 0.0072 0.0195
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0027 0.0223 0.0223
Echinococcus multilocularis caax prenyl protease 1 0.0069 0.0744 0.0744
Echinococcus multilocularis X box binding protein 1 0.0294 0.3488 0.3488
Loa Loa (eye worm) hypothetical protein 0.0016 0.0099 0.025
Entamoeba histolytica glycogenphosphorylase, putative 0.0144 0.1655 0.416
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0334 0.7997
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0072 0.3419
Entamoeba histolytica CAAX amino terminal protease family 0.0039 0.037 0.0905
Schistosoma mansoni hypothetical protein 0.0009 0.0012 0.0025
Plasmodium vivax thioredoxin reductase, putative 0.0041 0.04 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0025 0.0062
Schistosoma mansoni hypothetical protein 0.007 0.0748 0.1497
Brugia malayi Pre-SET motif family protein 0.0027 0.0223 0.0563
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0031
Plasmodium vivax glutathione reductase, putative 0.0041 0.04 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0009 0.0012 0.0025
Schistosoma mansoni thyroid hormone receptor 0.001 0.0025 0.0049
Schistosoma mansoni transcription factor btf3 0.0036 0.0334 0.0669
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0213 0.4285
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0094 0.1042 0.6201
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0133 0.0266
Schistosoma mansoni ap endonuclease 0.0019 0.0133 0.0266
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.002 0.0049

Activities

Activity type Activity value Assay description Source Reference
RLU (functional) = 160000 Compound was tested for the impact of introduction of molecular probe as side chain entity in the linker position on expression of luciferase in transfected HeLa cells (RLU = luciferase activity in relative light units (RLU)/10 s for 10E3 plated c ChEMBL. 9457245
RLU (functional) = 5400000 Compound was tested for the impact of introduction of molecular probe as side chain entity in the linker position on expression of luciferase in transfected NIH3T3 cells (RLU = luciferase activity in relative light units (RLU)/10 s for 10E3 plated ChEMBL. 9457245

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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