Detailed information for compound 88386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 700.089 | Formula: C43H77N3O4
  • H donors: 3 H acceptors: 4 LogP: 14.78 Rotable bonds: 38
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)COC(=O)NCc1ccncc1
  • InChi: 1S/C43H77N3O4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(48)46-40(38-50-43(49)45-37-39-33-35-44-36-34-39)41(47)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,33-36,40-41,47H,3-28,30,32,37-38H2,1-2H3,(H,45,49)(H,46,48)/b31-29+/t40-,41+/m0/s1
  • InChiKey: MZPPVXASDZXKGP-QIICEAFFSA-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
Plasmodium falciparum carbonic anhydrase 0.0221 0.1028 1
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0392 0.0391
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0052
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.1106 0.1105
Toxoplasma gondii exonuclease III APE 0.0057 0.0186 0.1587
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0026 0.0027 0.0019
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.0538 0.0531
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0103 0.0213
Trichomonas vaginalis D-aminoacylase, putative 0.0151 0.0668 0.1818
Echinococcus multilocularis importin subunit beta 1 0.0061 0.0208 0.0207
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0053 0.0045
Schistosoma mansoni ran 0.0045 0.0125 0.0117
Loa Loa (eye worm) hypothetical protein 0.0051 0.0155 0.0154
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0045 0.0125 0.0974
Trichomonas vaginalis esterase, putative 0.0151 0.0668 0.1818
Onchocerca volvulus 0.0106 0.044 0.0389
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0151 0.0668 0.0661
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0103 0.0257
Loa Loa (eye worm) hypothetical protein 0.0221 0.1028 0.1027
Echinococcus granulosus sodium:dicarboxylate symporter 0.1963 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0103 0.0205
Trypanosoma brucei hypothetical protein, conserved 0.0151 0.0668 0.2192
Echinococcus granulosus carbonic anhydrase 0.0221 0.1028 0.1027
Loa Loa (eye worm) transcription factor SMAD2 0.0252 0.1191 0.119
Echinococcus granulosus importin subunit beta 1 0.0061 0.0208 0.0207
Echinococcus granulosus carbonic anhydrase 0.0221 0.1028 0.1027
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0053 0.0052
Schistosoma mansoni carbonic anhydrase-related 0.0221 0.1028 0.1021
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0076 0.0074
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0184 0.0839 0.0838
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0052
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.0625 0.6719
Chlamydia trachomatis glutamate symporter 0.1963 1 1
Mycobacterium tuberculosis Conserved protein 0.0151 0.0668 0.0643
Brugia malayi hypothetical protein 0.0032 0.0059 0.0059
Brugia malayi CXXC zinc finger family protein 0.0058 0.0189 0.0189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0053 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0053 0.0053
Toxoplasma gondii hypothetical protein 0.0221 0.1028 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0053 0.0052
Loa Loa (eye worm) hypothetical protein 0.0236 0.1106 0.1105
Schistosoma mansoni hypothetical protein 0.004 0.0099 0.0091
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0076 0.0074
Brugia malayi Muscleblind-like protein 0.0336 0.162 0.162
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.1963 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0074 0.0274 0.0273
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.015 0.1918
Treponema pallidum glutamate transporter 0.087 0.4372 1
Brugia malayi jmjC domain containing protein 0.0059 0.0194 0.0194
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0193 0.0886 0.0885
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0057 0.0186 0.0543
Loa Loa (eye worm) excitatory amino acid transporter 0.1963 1 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0074 0.0274 0.1809
Brugia malayi hypothetical protein 0.005 0.015 0.015
Toxoplasma gondii histone lysine methyltransferase SET1 0.0112 0.0471 0.4435
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0192 0.088 0.0855
Echinococcus granulosus thioredoxin glutathione reductase 0.0077 0.0287 0.0286
Echinococcus multilocularis neuropeptide s receptor 0.0464 0.2283 0.2282
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0053 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0107 0.0225
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0053 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0053 0.0053
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.0606 0.0605
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0149 0.0343
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0103 0.0101
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0091 0.0359 0.0358
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0103 0.0257
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.006 0.0059
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0026 0.0027 0.0026
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0057 0.0186 0.1163
Entamoeba histolytica Ran family GTPase 0.0045 0.0125 0.0375
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0359 0.0352
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0091 0.0359 0.0352
Brugia malayi Importin beta-1 subunit 0.0061 0.0208 0.0208
Echinococcus granulosus excitatory amino acid transporter 2 0.1963 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1392 0.3872
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0053 0.0053
Mycobacterium leprae Probable lipase LipE 0.0151 0.0668 0.1699
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0125 0.0333
Mycobacterium tuberculosis Probable lipase LipD 0.0151 0.0668 0.0643
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0359 0.0352
Leishmania major GTP-binding protein, putative 0.0045 0.0125 0.0333
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0052
Mycobacterium ulcerans esterase/lipase LipP 0.0151 0.0668 0.7206
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0045 0.0125 0.0974
Schistosoma mansoni hypothetical protein 0.0343 0.1659 0.1652
Onchocerca volvulus 0.0091 0.0359 0.0308
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0057 0.0186 0.0543
Entamoeba histolytica hypothetical protein 0.005 0.0149 0.0554
Brugia malayi Pre-SET motif family protein 0.0091 0.0359 0.0359
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0053 0.0052
Schistosoma mansoni hypothetical protein 0.082 0.4116 0.4111
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0594 0.2951 0.2946
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0151 0.0668 0.0643
Trichomonas vaginalis penicillin-binding protein, putative 0.0151 0.0668 0.1818
Onchocerca volvulus 0.0151 0.0668 0.0619
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0026 0.0027 0.0027
Echinococcus granulosus neutral amino acid transporter A 0.1963 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0053 0.0052
Echinococcus granulosus carbonic anhydrase II 0.0594 0.2951 0.295
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0107 0.0106
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0211 0.0203
Echinococcus granulosus Excitatory amino acid transporter 0.1963 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0399 0.0392
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0086 0.0336 0.0335
Echinococcus granulosus muscleblind protein 0.0336 0.162 0.1619
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0193 0.0886 0.0885
Toxoplasma gondii HEAT repeat-containing protein 0.0061 0.0208 0.1807
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 0.1392 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1963 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0103 0.0213
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0103 0.0213
Echinococcus granulosus neuropeptide receptor A26 0.0464 0.2283 0.2282
Echinococcus granulosus microtubule associated protein 2 0.0714 0.3566 0.3566
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0255 0.0255
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.1963 1 1
Mycobacterium ulcerans lipase LipD 0.0151 0.0668 0.7206
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0199 0.0917 0.0916
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.015 0.1229
Loa Loa (eye worm) hypothetical protein 0.0221 0.1028 0.1027
Toxoplasma gondii aldehyde dehydrogenase 0.0199 0.0917 0.8889
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.087 0.4372 0.4372
Echinococcus multilocularis neutral amino acid transporter A 0.1963 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0053 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0053 0.0053
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0057 0.0186 0.0185
Plasmodium vivax SET domain protein, putative 0.0091 0.0359 0.518
Loa Loa (eye worm) hypothetical protein 0.0151 0.0668 0.0667
Mycobacterium leprae conserved hypothetical protein 0.0151 0.0668 0.1699
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0053 0.0052
Schistosoma mansoni coup transcription factor 0.0031 0.0053 0.0045
Echinococcus multilocularis carbonic anhydrase 0.0221 0.1028 0.1027
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0103 0.0101
Onchocerca volvulus Excitatory amino acid transporter homolog 0.1963 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0103 0.0213
Trichomonas vaginalis ran, putative 0.0045 0.0125 0.0276
Onchocerca volvulus 0.0049 0.0145 0.0092
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0053 0.0052
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0594 0.2951 0.295
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.015 0.1229
Echinococcus multilocularis carbonic anhydrase II 0.0594 0.2951 0.295
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0074 0.0274 0.07
Brugia malayi hypothetical protein 0.0236 0.1106 0.1106
Echinococcus granulosus neutral amino acid transporter A 0.1963 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.1392 1
Mycobacterium ulcerans beta-lactamase 0.0151 0.0668 0.7206
Echinococcus granulosus histone lysine methyltransferase setb 0.0091 0.0359 0.0358
Echinococcus granulosus cpg binding protein 0.0061 0.0206 0.0205
Schistosoma mansoni alpha-glucosidase 0.0158 0.0707 0.07
Trypanosoma brucei trypanothione reductase 0.0076 0.0282 0.087
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0053 0.0052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1392 0.3872
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0026 0.0027 0.0026
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0103 0.0103
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0103 0.0101
Trypanosoma cruzi hypothetical protein, conserved 0.0151 0.0668 0.2192
Schistosoma mansoni cpg binding protein 0.0061 0.0206 0.0198
Chlamydia trachomatis neutral amino acid transporter 0.087 0.4372 0.4357
Echinococcus granulosus snurportin 1 0.0655 0.3263 0.3262
Trichomonas vaginalis importin beta-1, putative 0.005 0.0149 0.0343
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0221 0.1028 0.1028
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0053 0.0052
Brugia malayi nuclear receptor NHR-88 0.0031 0.0053 0.0053
Brugia malayi nuclear hormone receptor 0.0031 0.0053 0.0053
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0053 0.0052
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0963 0.485 0.4836
Leishmania major hypothetical protein, conserved 0.005 0.015 0.0421
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0074 0.0274 0.0273
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0074 0.0274 0.0844
Brugia malayi follicle stimulating hormone receptor 0.0493 0.2431 0.2431
Schistosoma mansoni alpha-glucosidase 0.0158 0.0707 0.07
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0625 0.3109 0.3109
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.015 0.1229
Brugia malayi beta-lactamase 0.0151 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.0336 0.162 0.1619
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0125 0.0333
Loa Loa (eye worm) carbonic anhydrase 3 0.0594 0.2951 0.295
Schistosoma mansoni hypothetical protein 0.0221 0.1028 0.1021
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0151 0.0668 0.0668
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0193 0.0886 0.0879
Toxoplasma gondii ABC1 family protein 0.0151 0.0668 0.6405
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0074 0.0274 0.07
Echinococcus multilocularis expressed conserved protein 0.0091 0.0361 0.036
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0008 0.0007
Brugia malayi beta-lactamase family protein 0.0151 0.0668 0.0668
Echinococcus granulosus Excitatory amino acid transporter 0.1963 1 1
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0053 0.0052
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0076 0.0282 0.0255
Echinococcus granulosus carbonic anhydrase 0.0221 0.1028 0.1027
Onchocerca volvulus 0.0151 0.0668 0.0619
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0221 0.1028 0.1027
Schistosoma mansoni aldehyde dehydrogenase 0.0199 0.0917 0.091
Brugia malayi hypothetical protein 0.0036 0.0076 0.0076
Trypanosoma cruzi hypothetical protein, conserved 0.0151 0.0668 0.2192
Schistosoma mansoni ap endonuclease 0.0057 0.0186 0.0178
Echinococcus multilocularis neutral amino acid transporter A 0.1963 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0053 0.0053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1392 0.3872
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0192 0.088 1
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0053 0.0052
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0057 0.0186 0.0543
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0045 0.0125 0.0124
Echinococcus granulosus neuropeptide s receptor 0.0464 0.2283 0.2282
Schistosoma mansoni hypothetical protein 0.0033 0.006 0.0052
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0053 0.0052
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0052
Echinococcus multilocularis Excitatory amino acid transporter 0.1963 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0074 0.0274 0.0844
Loa Loa (eye worm) hypothetical protein 0.0336 0.162 0.1619
Echinococcus multilocularis muscleblind protein 0.0336 0.162 0.1619
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.1392 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0252 0.1191 0.119
Loa Loa (eye worm) hypothetical protein 0.0049 0.0145 0.0144
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0103 0.0213
Echinococcus granulosus excitatory amino acid transporter 2 0.1963 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0053 0.0052
Echinococcus multilocularis protein dispatched 1 0.0047 0.0137 0.0136
Schistosoma mansoni importin beta-1 0.0061 0.0208 0.02
Loa Loa (eye worm) hypothetical protein 0.0151 0.0668 0.0667
Brugia malayi RNA, U transporter 1 0.0174 0.079 0.079
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0221 0.1028 0.1028
Echinococcus granulosus ubiquitin specific protease 41 0.0074 0.0274 0.0273
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.0186 0.2477
Loa Loa (eye worm) hypothetical protein 0.0042 0.0107 0.0106
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.087 0.4372 0.4368
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0149 0.0343
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.0625 0.0599
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0173 0.0781 0.0755
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0053 0.0053
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1963 1 1
Brugia malayi glutathione reductase 0.0076 0.0282 0.0282
Loa Loa (eye worm) hypothetical protein 0.0103 0.0423 0.0422
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0107 0.0106
Brugia malayi jmjC domain containing protein 0.0062 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0053 0.0053
Trypanosoma brucei carbonic anhydrase-like protein 0.0594 0.2951 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0057 0.0186 0.0543
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.087 0.4372 0.4368
Echinococcus multilocularis tumor protein p63 0.0335 0.1616 0.1615
Echinococcus multilocularis excitatory amino acid transporter 3 0.1963 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0359 0.0358
Echinococcus multilocularis neutral amino acid transporter A 0.1963 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1392 0.3872
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0053 0.0045
Onchocerca volvulus 0.0151 0.0668 0.0619
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0052
Brugia malayi exodeoxyribonuclease III family protein 0.0057 0.0186 0.0186
Toxoplasma gondii thioredoxin reductase 0.0076 0.0282 0.2542
Schistosoma mansoni hypothetical protein 0.0048 0.014 0.0132
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.014 0.014
Schistosoma mansoni hypothetical protein 0.0033 0.006 0.0052
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0057 0.0186 0.0841
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0053 0.0052
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0053 0.0052
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0194 0.0193
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0053 0.0053
Schistosoma mansoni microtubule-associated protein tau 0.0714 0.3566 0.3561
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0053 0.0053
Trypanosoma cruzi importin beta-1 subunit, putative 0.005 0.0149 0.0414
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.015 0.0421
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0199 0.0917 0.0916
Echinococcus multilocularis GPCR, family 2 0.0033 0.006 0.0059
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0594 0.2951 1
Mycobacterium tuberculosis Conserved protein 0.0151 0.0668 0.0643
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0053 0.0052
Mycobacterium tuberculosis Probable oxidoreductase 0.0192 0.088 0.0855
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0151 0.0668 0.0643
Echinococcus multilocularis carbonic anhydrase 0.0221 0.1028 0.1027
Loa Loa (eye worm) hypothetical protein 0.0061 0.0208 0.0207
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0359 0.0352
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0594 0.2951 0.2951
Leishmania major importin beta-1 subunit, putative 0.005 0.0149 0.0414
Mycobacterium tuberculosis Probable dehydrogenase 0.0173 0.0781 0.0755
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.1392 0.3141
Treponema pallidum glutamate/aspartate transporter 0.087 0.4372 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0053 0.0053
Brugia malayi Glycosyl hydrolases family 31 protein 0.0184 0.0839 0.0839
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0053 0.0045
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0193 0.0886 0.0885
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0103 0.0213
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.1106 0.1105
Trypanosoma cruzi trypanothione reductase, putative 0.0076 0.0282 0.087
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0189 0.0188
Brugia malayi Thioredoxin reductase 0.0076 0.0282 0.0282
Brugia malayi Latrophilin receptor protein 2 0.0033 0.006 0.006
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0194 0.0193
Loa Loa (eye worm) hypothetical protein 0.0074 0.0274 0.0273
Plasmodium falciparum glutathione reductase 0.0076 0.0282 0.2542
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0053 0.0045
Brugia malayi beta-lactamase family protein 0.0151 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.0151 0.0668 0.0667
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0194 0.0193
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1392 0.3872
Brugia malayi MH2 domain containing protein 0.0252 0.1191 0.1191
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0053 0.0045
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.0186 0.1587
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1392 0.3872
Schistosoma mansoni hypothetical protein 0.004 0.0099 0.0091
Schistosoma mansoni aldehyde dehydrogenase 0.0199 0.0917 0.091
Echinococcus multilocularis lysosomal alpha glucosidase 0.0184 0.0839 0.0838
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0221 0.1028 0.1028
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0194 0.0186
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0594 0.2951 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0103 0.0205
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0594 0.2951 0.2946
Onchocerca volvulus 0.0048 0.014 0.0087
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0057 0.0186 0.1785
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0074 0.0274 0.0266
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0193 0.0886 0.0879
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0211 0.021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0053 0.0052
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.0186 0.045
Echinococcus multilocularis excitatory amino acid transporter 2 0.1963 1 1
Schistosoma mansoni ap endonuclease 0.0057 0.0186 0.0178
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0074 0.0274 0.0266
Echinococcus multilocularis sodium:dicarboxylate symporter 0.087 0.4372 0.4372
Loa Loa (eye worm) thioredoxin reductase 0.0076 0.0282 0.0281
Echinococcus granulosus GPCR family 2 0.0033 0.006 0.0059
Echinococcus granulosus tumor protein p63 0.0335 0.1616 0.1615
Onchocerca volvulus 0.0711 0.3553 0.3518
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0392 0.2401
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0091 0.0359 0.3317
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0103 0.0213
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.015 0.0421
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0193 0.0886 0.0885
Schistosoma mansoni cpg binding protein 0.0061 0.0206 0.0198
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0151 0.0668 0.0667
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0199 0.0917 0.3043
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0057 0.0186 0.0159
Mycobacterium tuberculosis Probable hydrolase 0.0151 0.0668 0.0643
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0655 0.3263 0.3262
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0045 0.0125 0.0333
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.006 0.0059
Echinococcus granulosus GTP binding nuclear protein Ran 0.0045 0.0125 0.0124
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.0606 0.0605
Loa Loa (eye worm) hypothetical protein 0.0097 0.0392 0.0391
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0493 0.2431 0.243
Schistosoma mansoni hypothetical protein 0.0033 0.006 0.0052
Schistosoma mansoni patched 1 0.0042 0.0107 0.0099
Schistosoma mansoni hypothetical protein 0.004 0.0099 0.0091
Loa Loa (eye worm) glutathione reductase 0.0076 0.0282 0.0281
Mycobacterium tuberculosis Probable reductase 0.0173 0.0781 0.0755
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0221 0.1028 0.1028
Leishmania major carbonic anhydrase-like protein 0.0594 0.2951 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0107 0.0106
Schistosoma mansoni ran 0.0045 0.0125 0.0117
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.1963 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0199 0.0917 1
Echinococcus multilocularis neuropeptide receptor A26 0.0464 0.2283 0.2282
Mycobacterium ulcerans aldehyde dehydrogenase 0.0199 0.0917 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0045 0.0125 0.0714
Mycobacterium tuberculosis Probable lipase LipE 0.0151 0.0668 0.0643
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.006 0.006
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0208 0.0618
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1607 0.8165 0.8165
Echinococcus multilocularis lysosomal alpha glucosidase 0.0184 0.0839 0.0838
Trypanosoma brucei glucosidase, putative 0.0041 0.0103 0.0257
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0057 0.0186 0.0185
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0193 0.0886 0.0879
Loa Loa (eye worm) hypothetical protein 0.007 0.0255 0.0254
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0074 0.0274 0.0844
Trichomonas vaginalis D-aminoacylase, putative 0.0151 0.0668 0.1818
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0221 0.1028 0.1028
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0151 0.0668 0.7206
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0423 0.0422
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0053 0.0045
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0103 0.0257
Echinococcus multilocularis muscleblind protein 1 0.0336 0.162 0.1619
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0053 0.0052
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0074 0.0274 0.0273
Echinococcus multilocularis thioredoxin glutathione reductase 0.0077 0.0287 0.0286
Plasmodium vivax hypothetical protein, conserved 0.0151 0.0668 1
Trichomonas vaginalis set domain proteins, putative 0.0711 0.3553 1
Brugia malayi steroid hormone receptor 0.0031 0.0053 0.0053
Schistosoma mansoni hypothetical protein 0.007 0.0255 0.0247
Trichomonas vaginalis penicillin-binding protein, putative 0.0151 0.0668 0.1818
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0076 0.0067
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0173 0.0781 0.0755
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0052
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0208 0.0618
Plasmodium vivax glutathione reductase, putative 0.0076 0.0282 0.397
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0392 0.0391
Mycobacterium tuberculosis Probable esterase LipL 0.0151 0.0668 0.0643
Loa Loa (eye worm) hypothetical protein 0.0033 0.006 0.0059
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0103 0.075
Leishmania major trypanothione reductase 0.0076 0.0282 0.087
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.0186 0.045
Schistosoma mansoni carbonic anhydrase-related 0.0221 0.1028 0.1021
Echinococcus multilocularis Excitatory amino acid transporter 0.1963 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.0211 0.021
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0211 0.0203
Loa Loa (eye worm) hypothetical protein 0.0151 0.0668 0.0667
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0193 0.0886 0.0885
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0173 0.0781 0.0755
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0199 0.0917 0.0892
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0151 0.0668 0.0661
Schistosoma mansoni survival motor neuron protein 0.0048 0.014 0.0132
Mycobacterium ulcerans aldehyde dehydrogenase 0.0199 0.0917 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0057 0.0186 0.0365
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0053 0.0053
Schistosoma mansoni hypothetical protein 0.0033 0.006 0.0052
Schistosoma mansoni alpha glucosidase 0.0041 0.0103 0.0094
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1392 0.3872
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0053 0.0045
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0103 0.0213
Onchocerca volvulus 0.0058 0.0189 0.0137
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0074 0.0274 0.0273
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0053 0.0052
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0053 0.0052
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0052
Loa Loa (eye worm) beta-lactamase 0.0151 0.0668 0.0667
Plasmodium vivax importin-beta 2, putative 0.0061 0.0208 0.2821
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0053 0.0052
Plasmodium falciparum thioredoxin reductase 0.0076 0.0282 0.2542
Echinococcus granulosus dnaJ subfamily B 0.082 0.4116 0.4115
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0057 0.0186 0.0185
Echinococcus multilocularis excitatory amino acid transporter 2 0.1963 1 1
Echinococcus multilocularis geminin 0.0343 0.1659 0.1658
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0074 0.0274 0.0274
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.006 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0053 0.0053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.1392 0.3872
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0173 0.0781 0.6108
Loa Loa (eye worm) hypothetical protein 0.0221 0.1028 0.1027
Loa Loa (eye worm) hypothetical protein 0.005 0.015 0.0149
Plasmodium vivax thioredoxin reductase, putative 0.0076 0.0282 0.397
Brugia malayi Pre-SET motif family protein 0.0625 0.3109 0.3109
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0423 0.0423
Plasmodium falciparum importin beta, putative 0.0061 0.0208 0.1807
Schistosoma mansoni hypothetical protein 0.0036 0.0076 0.0067
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0091 0.0359 0.0358
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0053 0.0052
Echinococcus granulosus geminin 0.0343 0.1659 0.1658
Echinococcus granulosus lysosomal alpha glucosidase 0.0184 0.0839 0.0838
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0053 0.0052
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.006 0.0059
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0594 0.2951 0.2951
Echinococcus granulosus expressed conserved protein 0.0091 0.0361 0.036
Echinococcus multilocularis carbonic anhydrase 0.0221 0.1028 0.1027
Echinococcus granulosus neutral amino acid transporter 0.1963 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0151 0.0668 0.0667
Echinococcus multilocularis protein patched 0.0042 0.0107 0.0106
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0045 0.0125 0.0124
Echinococcus granulosus excitatory amino acid transporter 3 0.1963 1 1
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0145 0.0137
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0074 0.0274 0.151
Brugia malayi ecdysteroid receptor 0.0031 0.0053 0.0053
Brugia malayi CHE-14 protein 0.0042 0.0107 0.0107
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0193 0.0886 0.0886
Echinococcus multilocularis beta LACTamase domain containing family member 0.0151 0.0668 0.0667
Echinococcus multilocularis microtubule associated protein 2 0.0714 0.3566 0.3566
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0053 0.0045
Echinococcus multilocularis snurportin 1 0.0655 0.3263 0.3262
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0103 0.0213
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0392 0.0392
Schistosoma mansoni hypothetical protein 0.0343 0.1659 0.1652
Schistosoma mansoni carbonic anhydrase-related 0.0221 0.1028 0.1021
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0052
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0107 0.0106
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0045 0.0125 0.0125
Mycobacterium ulcerans hypothetical protein 0.0151 0.0668 0.7206
Schistosoma mansoni hypothetical protein 0.004 0.0099 0.0091
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0151 0.0668 0.0643
Trichomonas vaginalis D-aminoacylase, putative 0.0151 0.0668 0.1818
Schistosoma mansoni cpg binding protein 0.0058 0.0189 0.0181
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0173 0.0781 0.0755
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0192 0.088 0.0855
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0151 0.0668 0.0667
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0053 0.0053
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0057 0.0186 0.0159
Echinococcus multilocularis cpg binding protein 0.0061 0.0206 0.0205
Leishmania major hypothetical protein, conserved 0.0151 0.0668 0.2192
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0045 0.0125 0.152
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0053 0.0045
Loa Loa (eye worm) hypothetical protein 0.0151 0.0668 0.0667
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0053 0.0052
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0423 0.0423
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.015 0.0421
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0053 0.0045
Mycobacterium tuberculosis Conserved protein 0.0151 0.0668 0.0643
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0053 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0053 0.0053
Echinococcus multilocularis dnaJ subfamily B 0.082 0.4116 0.4115
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0274 0.07
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0074 0.0274 0.0844
Schistosoma mansoni carbonic anhydrase 0.0221 0.1028 0.1021
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0008 0.0007
Schistosoma mansoni hypothetical protein 0.0655 0.3263 0.3258
Echinococcus multilocularis ubiquitin specific protease 41 0.0074 0.0274 0.0273

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source ChEMBL. 12781174
IC50 (binding) > 100 uM Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source ChEMBL. 12781174

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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