Detailed information for compound 1750005

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.837 | Formula: C19H23ClO4
  • H donors: 0 H acceptors: 1 LogP: 4.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@@H]1CC2=C([C@H](O1)c1ccc(cc1)Cl)C(=O)OC(O2)(C)C
  • InChi: 1S/C19H23ClO4/c1-4-5-6-14-11-15-16(18(21)24-19(2,3)23-15)17(22-14)12-7-9-13(20)10-8-12/h7-10,14,17H,4-6,11H2,1-3H3/t14-,17-/m1/s1
  • InChiKey: IGBHDJDWQNUBBT-RHSMWYFYSA-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
Schistosoma mansoni loxhd1 0.0021 0.0018 0.0011
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0069 0.0242 0.0236
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0114 0.0453 0.1326
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.105 0.3073
Brugia malayi MH1 domain containing protein 0.0035 0.0083 0.0224
Loa Loa (eye worm) nuclear factor I 0.0019 0.001 0.003
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0155 0.0644 0.0638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.124 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0069 0.0242 0.0236
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0218 0.0212
Brugia malayi latrophilin 2 splice variant baaae 0.0149 0.0616 0.1786
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0027 0.0237
Schistosoma mansoni smad1 5 8 and 0.0035 0.0083 0.0076
Entamoeba histolytica hypothetical protein 0.0155 0.0644 0.5167
Loa Loa (eye worm) hypothetical protein 0.0019 0.001 0.003
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0013 0.0156
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0369 0.0363
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0027 0.006
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0134 0.2949
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0218 0.1715
Echinococcus multilocularis Excitatory amino acid transporter 0.0751 0.3418 0.3414
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0027 0.0321
Echinococcus multilocularis excitatory amino acid transporter 3 0.0751 0.3418 0.3414
Toxoplasma gondii thioredoxin reductase 0.0046 0.0134 0.1454
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0082 0.0076
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0333 0.1471 0.1465
Echinococcus granulosus dna polymerase eta 0.0019 0.0007 0.0001
Echinococcus multilocularis neutral amino acid transporter A 0.0751 0.3418 0.3414
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0021
Echinococcus granulosus excitatory amino acid transporter 2 0.0751 0.3418 0.3414
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0076 0.007
Mycobacterium ulcerans bacterioferritin BfrB 0.0027 0.0046 0.0551
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0013 0.0052
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.171 0.7885 0.7883
Echinococcus granulosus neutral amino acid transporter A 0.0751 0.3418 0.3414
Schistosoma mansoni transcription factor LCR-F1 0.0155 0.0644 0.0638
Schistosoma mansoni polycystin 1-related 0.0021 0.0018 0.0011
Echinococcus granulosus Excitatory amino acid transporter 0.0751 0.3418 0.3414
Mycobacterium tuberculosis Conserved protein 0.0114 0.0453 0.1326
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0027 0.0237
Treponema pallidum glutamate transporter 0.0333 0.1471 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0218 0.0638
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0013 0.0753
Loa Loa (eye worm) hypothetical protein 0.0021 0.0018 0.0052
Schistosoma mansoni ferritin 0.0027 0.0046 0.004
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0007 0.0001
Mycobacterium tuberculosis Probable lipase LipE 0.0114 0.0453 0.1326
Chlamydia trachomatis glutamate symporter 0.0751 0.3418 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0083 0.0076
Plasmodium vivax SET domain protein, putative 0.0035 0.0082 0.1815
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0013 0.007
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0007 0.0001
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0027 0.0079
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0069 0.0242 0.0236
Echinococcus multilocularis excitatory amino acid transporter 2 0.0751 0.3418 0.3414
Echinococcus multilocularis RUN 0.0021 0.0018 0.0011
Brugia malayi hypothetical protein 0.0021 0.0018 0.0032
Trichomonas vaginalis ferritin, putative 0.0027 0.0046 0.0322
Loa Loa (eye worm) hypothetical protein 0.0114 0.0453 0.1326
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0218 0.473
Loa Loa (eye worm) hypothetical protein 0.0051 0.0158 0.0462
Echinococcus granulosus survival motor neuron protein 1 0.0489 0.22 0.2195
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0114 0.0453 0.1326
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.0407 0.1191
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0218 0.062
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.124 1
Echinococcus granulosus smad 0.0035 0.0083 0.0076
Loa Loa (eye worm) hypothetical protein 0.0114 0.0453 0.1326
Schistosoma mansoni apoferritin-2 0.0027 0.0046 0.004
Schistosoma mansoni ap endonuclease 0.002 0.0013 0.0006
Chlamydia trachomatis neutral amino acid transporter 0.0333 0.1471 0.4302
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0007 0.0086
Plasmodium vivax glutathione reductase, putative 0.0046 0.0134 0.2949
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0219 0.0938 0.2744
Schistosoma mansoni ferritin 0.0027 0.0046 0.004
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0027 0.0046 0.036
Schistosoma mansoni Smad4 0.0035 0.0083 0.0076
Plasmodium falciparum glutathione reductase 0.0046 0.0134 0.767
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.124 1
Brugia malayi MH2 domain containing protein 0.0514 0.2312 0.6758
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0082 0.0076
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0158 0.0151
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0218 0.473
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0174 0.3745
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.124 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0027 0.0237
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0114 0.0453 0.5382
Echinococcus multilocularis survival motor neuron protein 1 0.0489 0.22 0.2195
Loa Loa (eye worm) transcription factor SMAD2 0.0514 0.2312 0.6764
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0013 0.0052
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0013 0.0047
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0013 0.029
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.124 0.8416
Schistosoma mansoni hypothetical protein 0.0069 0.0242 0.0236
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.002
Brugia malayi hypothetical protein 0.0155 0.0644 0.1868
Mycobacterium tuberculosis Conserved protein 0.0114 0.0453 0.1326
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0083 0.0243
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0007 0.002
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0007 0.0005
Loa Loa (eye worm) hypothetical protein 0.0114 0.0453 0.1326
Loa Loa (eye worm) hypothetical protein 0.0114 0.0453 0.1326
Echinococcus granulosus ferritin 0.0027 0.0046 0.004
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0027 0.0046 0.0136
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0059 0.0193 0.0187
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0083 0.0243
Schistosoma mansoni hypothetical protein 0.0069 0.0242 0.0236
Brugia malayi hypothetical protein 0.0021 0.0018 0.0032
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0018 0.0011
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0082 0.0076
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0013 0.0019
Echinococcus multilocularis microtubule associated protein 2 0.2164 1 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0034 0.0027
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.0565 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0198 0.0842 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0007 0.0005
Schistosoma mansoni aldehyde dehydrogenase 0.0198 0.0842 0.0836
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.124 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0083 0.0076
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0369 0.1063
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0007 0.0021
Entamoeba histolytica hypothetical protein 0.0155 0.0644 0.5167
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0198 0.0842 0.0836
Schistosoma mansoni lipoxygenase 0.0059 0.0193 0.0187
Loa Loa (eye worm) hypothetical protein 0.0035 0.0082 0.0241
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0013 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.124 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0083 0.0076
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0114 0.0453 0.1326
Schistosoma mansoni rab6-interacting 0.0021 0.0018 0.0011
Schistosoma mansoni aldehyde dehydrogenase 0.0198 0.0842 0.0836
Schistosoma mansoni hypothetical protein 0.0149 0.0616 0.061
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0083 0.0076
Loa Loa (eye worm) hypothetical protein 0.0114 0.0453 0.1326
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0027 0.0165
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0134 0.0127
Treponema pallidum glutamate/aspartate transporter 0.0333 0.1471 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.124 1
Schistosoma mansoni smad 0.0035 0.0083 0.0076
Brugia malayi Doublecortin family protein 0.0021 0.0018 0.0032
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0174 1
Schistosoma mansoni ferritin 0.0027 0.0046 0.004
Echinococcus granulosus sodium:dicarboxylate symporter 0.0751 0.3418 0.3414
Onchocerca volvulus 0.0114 0.0453 0.1281
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0027 0.0046 0.0136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0369 0.0363
Mycobacterium tuberculosis Conserved protein 0.0114 0.0453 0.1326
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0027 0.0079
Echinococcus granulosus dna polymerase kappa 0.0019 0.0007 0.0001
Mycobacterium ulcerans aldehyde dehydrogenase 0.0198 0.0842 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0007 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0369 0.0363
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0218 0.473
Mycobacterium ulcerans hypothetical protein 0.0114 0.0453 0.5382
Echinococcus multilocularis beta LACTamase domain containing family member 0.0114 0.0453 0.0447
Loa Loa (eye worm) hypothetical protein 0.0069 0.0242 0.0708
Loa Loa (eye worm) hypothetical protein 0.0219 0.0938 0.2744
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0018 0.0011
Echinococcus multilocularis Smad4 0.0035 0.0083 0.0076
Mycobacterium tuberculosis Probable esterase LipL 0.0114 0.0453 0.1326
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0218 0.2527
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0007 0.0001
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.0407 0.7069
Echinococcus granulosus beta LACTamase domain containing family member 0.0114 0.0453 0.0447
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0093 0.0086
Mycobacterium ulcerans bacterioferritin BfrA 0.0027 0.0046 0.0551
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0462 0.135
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0462 0.135
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0013 0.0131
Onchocerca volvulus 0.0114 0.0453 0.1281
Loa Loa (eye worm) beta-lactamase 0.0114 0.0453 0.1326
Onchocerca volvulus 0.0023 0.0027 0.0028
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0027 0.0321
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.002
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.0453 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0134 0.0391
Loa Loa (eye worm) excitatory amino acid transporter 0.0751 0.3418 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.124 1
Echinococcus multilocularis expressed protein 0.0362 0.1606 0.16
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0018 0.0011
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0114 0.0453 0.1326
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0174 0.3745
Echinococcus granulosus neutral amino acid transporter 0.0751 0.3418 0.3414
Echinococcus granulosus Smad4 0.0035 0.0083 0.0076
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0007 0.0005
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.0407 0.1191
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0731 0.3326 0.9728
Brugia malayi Calcitonin receptor-like protein seb-1 0.0219 0.0938 0.273
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0082 0.0076
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0013 0.0006
Entamoeba histolytica hypothetical protein 0.0155 0.0644 0.5167
Onchocerca volvulus 0.0051 0.0158 0.0413
Toxoplasma gondii ABC1 family protein 0.0114 0.0453 0.5309
Echinococcus granulosus excitatory amino acid transporter 3 0.0751 0.3418 0.3414
Echinococcus multilocularis ferritin 0.0027 0.0046 0.004
Onchocerca volvulus 0.0114 0.0453 0.1281
Brugia malayi hypothetical protein 0.0489 0.22 0.6428
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0333 0.1471 0.1465
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0751 0.3418 1
Leishmania major hypothetical protein, conserved 0.0114 0.0453 0.5342
Schistosoma mansoni apoferritin-2 0.0027 0.0046 0.004
Schistosoma mansoni hypothetical protein 0.0021 0.0018 0.0011
Brugia malayi Latrophilin receptor protein 2 0.0069 0.0242 0.069
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0155 0.0644 0.0638
Toxoplasma gondii aldehyde dehydrogenase 0.0198 0.0842 1
Schistosoma mansoni ferritin 0.0027 0.0046 0.004
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0027 0.0321
Trichomonas vaginalis penicillin-binding protein, putative 0.0114 0.0453 0.3621
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0027 0.0321
Echinococcus granulosus GPCR family 2 0.0069 0.0242 0.0236
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0093 0.0086
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0018 0.0011
Mycobacterium leprae conserved hypothetical protein 0.0114 0.0453 0.7924
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0082 0.0834
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.0565 0.6708
Brugia malayi Pre-SET motif family protein 0.0035 0.0082 0.0221
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.002
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0007 0.002
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0751 0.3418 1
Schistosoma mansoni hypothetical protein 0.0069 0.0242 0.0236
Echinococcus granulosus neutral amino acid transporter A 0.0751 0.3418 0.3414
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.0407 0.1191
Brugia malayi beta-lactamase 0.0114 0.0453 0.1309
Brugia malayi glutathione reductase 0.0046 0.0134 0.0372
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0027 0.0321
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0114 0.0453 0.0447
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.0453 0.3621
Schistosoma mansoni smad1 5 8 and 0.0035 0.0083 0.0076
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0069 0.0242 0.0236
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0218 0.0212
Echinococcus multilocularis neutral amino acid transporter A 0.0751 0.3418 0.3414
Mycobacterium tuberculosis Probable reductase 0.0105 0.0407 0.1191
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0013 0.0131
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0134 0.0127
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0027 0.0046 0.0098
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0007 0.0021
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0751 0.3418 0.3414
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0751 0.3418 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0018 0.0011
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0027 0.0321
Brugia malayi beta-lactamase family protein 0.0114 0.0453 0.1309
Trypanosoma brucei trypanothione reductase 0.0046 0.0134 0.2834
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0082 0.0076
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0333 0.1471 0.1465
Onchocerca volvulus 0.0276 0.1207 0.3496
Entamoeba histolytica hypothetical protein 0.0155 0.0644 0.5167
Loa Loa (eye worm) glutathione reductase 0.0046 0.0134 0.0391
Schistosoma mansoni hypothetical protein 0.0155 0.0644 0.0638
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0083 0.0076
Loa Loa (eye worm) Smad1 0.0035 0.0083 0.0243
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0219 0.0938 0.273
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0369 0.0363
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0013 0.0038
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0218 0.0212
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.0407 0.1191
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0082 0.0076
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0013 0.0052
Brugia malayi beta-lactamase family protein 0.0114 0.0453 0.1309
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0018 0.0011
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0018 0.1012
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0018 0.0389
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.0453 0.3621
Mycobacterium ulcerans beta-lactamase 0.0114 0.0453 0.5382
Brugia malayi Excitatory amino acid transporter 0.0751 0.3418 1
Mycobacterium tuberculosis Probable lipase LipD 0.0114 0.0453 0.1326
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0027 0.0165
Echinococcus granulosus Excitatory amino acid transporter 0.0751 0.3418 0.3414
Brugia malayi Pre-SET motif family protein 0.0243 0.105 0.3059
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0007 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.0453 1
Mycobacterium ulcerans esterase/lipase LipP 0.0114 0.0453 0.5382
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0007 0.002
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0027 0.0321
Echinococcus multilocularis neutral amino acid transporter A 0.0751 0.3418 0.3414
Schistosoma mansoni DNA polymerase eta 0.0019 0.0007 0.0001
Onchocerca volvulus 0.01 0.0385 0.1081
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0369 0.0363
Mycobacterium ulcerans lipase LipD 0.0114 0.0453 0.5382
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0198 0.0842 0.2463
Echinococcus granulosus tumor protein p63 0.0349 0.1545 0.1539
Echinococcus granulosus RUN 0.0021 0.0018 0.0011
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.0453 0.3621
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0174 0.3745
Echinococcus multilocularis GPCR, family 2 0.0069 0.0242 0.0236
Loa Loa (eye worm) hypothetical protein 0.0149 0.0616 0.1802
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.124 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0369 0.0363
Mycobacterium leprae Probable lipase LipE 0.0114 0.0453 0.7924
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0174 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0751 0.3418 0.3414
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.124 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0007 0.002
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0114 0.0453 0.1309
Schistosoma mansoni ferritin light chain 0.0027 0.0046 0.004
Loa Loa (eye worm) hypothetical protein 0.0114 0.0453 0.1326
Echinococcus multilocularis tumor protein p63 0.0349 0.1545 0.1539
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0174 0.3845
Loa Loa (eye worm) latrophilin receptor protein 2 0.0069 0.0242 0.0708
Mycobacterium ulcerans aldehyde dehydrogenase 0.0198 0.0842 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0007 0.0021
Plasmodium falciparum thioredoxin reductase 0.0046 0.0134 0.767
Brugia malayi MH1 domain containing protein 0.0019 0.001 0.0011
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0369 0.1081
Mycobacterium tuberculosis Probable hydrolase 0.0114 0.0453 0.1326
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0034 0.0027
Echinococcus multilocularis expressed protein 0.0027 0.0046 0.004
Brugia malayi MH2 domain containing protein 0.0035 0.0083 0.0224
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0333 0.1471 0.1465
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0013 0.0131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0369 0.0363
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0007 0.0001
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0059 0.0193 0.0187
Schistosoma mansoni hypothetical protein 0.01 0.0385 0.0379
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0462 0.135
Schistosoma mansoni ferritin light chain 0.0027 0.0046 0.004
Onchocerca volvulus 0.0035 0.0082 0.019
Schistosoma mansoni rab6-interacting 0.0021 0.0018 0.0011
Trichomonas vaginalis set domain proteins, putative 0.0276 0.1207 0.973
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0007 0.0002
Brugia malayi hypothetical protein 0.0055 0.0174 0.0491
Brugia malayi hypothetical protein 0.0035 0.0084 0.0227
Plasmodium vivax hypothetical protein, conserved 0.0114 0.0453 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0027 0.0321
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0007 0.002
Loa Loa (eye worm) MH2 domain-containing protein 0.0514 0.2312 0.6764
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0114 0.0453 0.0447
Leishmania major hypothetical protein, conserved 0.0055 0.0174 0.2
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0174 0.1944
Brugia malayi Thioredoxin reductase 0.0046 0.0134 0.0372
Schistosoma mansoni lipoxygenase 0.0021 0.0018 0.0011
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0198 0.0842 0.0836
Echinococcus multilocularis dna polymerase eta 0.0019 0.0007 0.0001
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0751 0.3418 0.3414
Trypanosoma brucei hypothetical protein, conserved 0.0114 0.0453 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0114 0.0453 0.3621
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0198 0.0842 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0027 0.0079
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.01 0.0385 0.1109
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0069 0.0242 0.069
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0027 0.006
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0462 0.8079
Brugia malayi MH2 domain containing protein 0.0035 0.0083 0.0224
Loa Loa (eye worm) hypothetical protein 0.0055 0.0174 0.051
Echinococcus granulosus excitatory amino acid transporter 2 0.0751 0.3418 0.3414
Schistosoma mansoni hypothetical protein 0.0069 0.0242 0.0236
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0134 0.2834
Schistosoma mansoni ap endonuclease 0.002 0.0013 0.0006
Echinococcus multilocularis smad 0.0035 0.0083 0.0076
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.0565 0.1652
Trichomonas vaginalis esterase, putative 0.0114 0.0453 0.3621
Schistosoma mansoni survival motor neuron protein 0.01 0.0385 0.0379
Echinococcus granulosus expressed protein 0.0362 0.1606 0.16
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.0407 0.1191
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0027 0.006
Loa Loa (eye worm) hypothetical protein 0.0489 0.22 0.6435
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0082 0.0076
Echinococcus multilocularis Excitatory amino acid transporter 0.0751 0.3418 0.3414
Brugia malayi Smad1 0.0035 0.0083 0.0224
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0013 0.0038
Echinococcus granulosus expressed protein 0.0027 0.0046 0.004
Brugia malayi MH1 domain containing protein 0.0035 0.0083 0.0224
Leishmania major trypanothione reductase 0.0046 0.0134 0.1514
Schistosoma mansoni hypothetical protein 0.0024 0.0034 0.0027
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.124 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0027 0.0165
Brugia malayi MH1 domain containing protein 0.0019 0.001 0.0011
Loa Loa (eye worm) hypothetical protein 0.0021 0.0018 0.0052
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0134 0.0391
Loa Loa (eye worm) hypothetical protein 0.0023 0.0027 0.0079
Echinococcus multilocularis excitatory amino acid transporter 2 0.0751 0.3418 0.3414
Treponema pallidum bacterioferrin (TpF1) 0.0027 0.0046 0.0228
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.002
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0007 0.0086
Schistosoma mansoni microtubule-associated protein tau 0.2164 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0027 0.0079
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0018 0.0052
Schistosoma mansoni smad1 5 8 and 0.0035 0.0083 0.0076

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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