Detailed information for compound 1334972

Basic information

Technical information
  • TDR Targets ID: 1334972
  • Name: 1-(2,5-dimethylphenyl)-5-oxo-N-(1,3-thiazol-2 -yl)pyrrolidine-3-carboxamide
  • MW: 315.39 | Formula: C16H17N3O2S
  • H donors: 1 H acceptors: 3 LogP: 1.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC(=O)N(C1)c1cc(C)ccc1C)Nc1nccs1
  • InChi: 1S/C16H17N3O2S/c1-10-3-4-11(2)13(7-10)19-9-12(8-14(19)20)15(21)18-16-17-5-6-22-16/h3-7,12H,8-9H2,1-2H3,(H,17,18,21)
  • InChiKey: QKYUBLJZWVRDKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2,5-dimethylphenyl)-5-oxo-N-thiazol-2-yl-pyrrolidine-3-carboxamide
  • 1-(2,5-dimethylphenyl)-5-oxo-N-(2-thiazolyl)-3-pyrrolidinecarboxamide
  • 1-(2,5-dimethylphenyl)-5-keto-N-thiazol-2-yl-pyrrolidine-3-carboxamide
  • 1-(2,5-Dimethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid thiazol-2-ylamide
  • BAS 10428055

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.052 0.117 0.117
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0044 0.0903
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.0195 0.0195
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0048 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0048 0.0075 0.0075
Brugia malayi Cyclic-nucleotide gated cation channel 0.0019 0.0007 0.0007
Echinococcus granulosus transient receptor potential gamma protein 0.0105 0.0207 0.0207
Brugia malayi TspO/MBR family protein 0.0262 0.0571 0.0571
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0035 0.0035
Brugia malayi isocitrate dehydrogenase 0.0031 0.0035 0.0035
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.002 0.5624
Echinococcus granulosus MAP kinase activated protein kinase 2 0.4328 1 1
Loa Loa (eye worm) hypothetical protein 0.0262 0.0571 0.0571
Schistosoma mansoni 60S ribosomal protein L21 0.0018 0.0004 0.0004
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0019 0.0007 0.0007
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0022 0.0015 0.0015
Brugia malayi jmjC domain containing protein 0.0092 0.0178 0.0178
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0035 0.0035
Onchocerca volvulus 0.0048 0.0074 0.1041
Brugia malayi CHE-14 protein 0.0041 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0017 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0043 0.0064 0.0064
Giardia lamblia PHD finger protein 15 0.0028 0.0029 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0044 0.0722
Brugia malayi jmjC domain containing protein 0.0036 0.0047 0.0047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0169 0.0169
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0001 0.0001
Schistosoma mansoni transient receptor potential channel 0.0073 0.0133 0.0133
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0029 0.0029
Onchocerca volvulus 0.0262 0.0571 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0001 0.0001
Echinococcus multilocularis calcium activated potassium channel 0.0025 0.0022 0.0022
Schistosoma mansoni voltage-gated potassium channel 0.0019 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0023 0.0016 0.0016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0169 0.0169
Schistosoma mansoni hypothetical protein 0.0046 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0028 0.0029 0.0029
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0046 0.007 0.007
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0044 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.001 0.001
Echinococcus multilocularis protein dispatched 1 0.0047 0.0071 0.0071
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0133 0.0133
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0097 0.0097
Echinococcus granulosus hyperpolarization activated cyclic 0.0019 0.0007 0.0007
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0004 0.0004
Echinococcus multilocularis GPCR, family 2 0.0046 0.007 0.007
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0184 0.0184
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0019 0.0007 0.0007
Echinococcus granulosus tumor protein p63 0.0327 0.0722 0.0722
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.002 0.5624
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0044 0.0903
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0003
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0029 0.6255
Echinococcus multilocularis expressed conserved protein 0.009 0.0171 0.0171
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0016 0.0237
Loa Loa (eye worm) hypothetical protein 0.005 0.0079 0.0079
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0044 1
Echinococcus granulosus short transient receptor potential channel 6 0.0073 0.0133 0.0133
Echinococcus granulosus tm gpcr rhodopsin 0.052 0.117 0.117
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0035 0.0044 0.0044
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0044 0.0044
Echinococcus multilocularis peregrin 0.0031 0.0034 0.0034
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0074 0.0074
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0044 0.0722
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0035 0.7988
Loa Loa (eye worm) hypothetical protein 0.0046 0.007 0.007
Brugia malayi hypothetical protein 0.0106 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0003
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0035 0.0035
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0044 1
Echinococcus granulosus expressed conserved protein 0.009 0.0171 0.0171
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0001 0.0001
Brugia malayi hypothetical protein 0.0024 0.002 0.002
Echinococcus granulosus sodium channel protein 0.0141 0.029 0.029
Entamoeba histolytica hypothetical protein 0.0035 0.0044 0.1641
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0016 0.0016
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0019 0.0007 0.0007
Mycobacterium tuberculosis Conserved protein 0.0035 0.0044 0.0903
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0019 0.0007 0.0007
Trichomonas vaginalis esterase, putative 0.0035 0.0044 0.723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0169 0.0169
Echinococcus granulosus GPCR family 2 0.0046 0.007 0.007
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0029 0.6506
Echinococcus multilocularis geminin 0.0169 0.0355 0.0355
Schistosoma mansoni voltage-gated potassium channel 0.0052 0.0083 0.0083
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0042 0.68
Onchocerca volvulus 0.0035 0.0044 0.0497
Echinococcus granulosus voltage gated potassium channel 0.0022 0.0015 0.0015
Brugia malayi PHD-finger family protein 0.0024 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0059 0.01 0.01
Onchocerca volvulus 0.0262 0.0571 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0001 0.0001
Leishmania major hypothetical protein, conserved 0.0035 0.0044 0.1518
Echinococcus granulosus zinc finger protein 0.0019 0.0007 0.0007
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.01 0.0195 0.0195
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0029 0.0029
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.002 0.4492
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0169 0.0169
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.01 0.0195 0.0195
Brugia malayi Transient-receptor-potential like protein 0.0046 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0068 0.0122 0.0122
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0044 0.0903
Entamoeba histolytica hypothetical protein 0.0035 0.0044 0.1641
Echinococcus multilocularis muscleblind protein 1 0.0145 0.0298 0.0298
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0014 0.0014
Onchocerca volvulus Alhambra homolog 0.0028 0.0029 0.022
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0035 0.7843
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0035 0.6347
Echinococcus granulosus short transient receptor potential channel 6 0.0073 0.0133 0.0133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0169 0.0169
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.007 0.007
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.4328 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0022 0.0015 0.0015
Brugia malayi Muscleblind-like protein 0.0145 0.0298 0.0298
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0035 0.6347
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0044 0.0044
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0016 0.0237
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0019 0.0007 0.0007
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0016 0.0237
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0044 0.0903
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0035 0.0035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0001 0.0001
Onchocerca volvulus 0.0262 0.0571 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0042 0.68
Schistosoma mansoni transient receptor potential channel 0.0105 0.0207 0.0207
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0044 0.0044
Echinococcus multilocularis translocator protein 0.0262 0.0571 0.0571
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0035 0.6347
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0054 0.0054
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0016 0.0566
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0047 0.0047
Brugia malayi PHD-finger family protein 0.0028 0.0029 0.0029
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0003 0.0045
Echinococcus granulosus transient receptor potential ion channel A 0.0091 0.0174 0.0174
Schistosoma mansoni hypothetical protein 0.002 0.001 0.001
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0016 0.0237
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0003 0.0003
Echinococcus granulosus translocator protein 0.0262 0.0571 0.0571
Schistosoma mansoni hypothetical protein 0.0039 0.0055 0.0055
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0016 0.0016
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0032 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0145 0.0298 0.0298
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0019 0.0007 0.0007
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0044 0.0903
Loa Loa (eye worm) hypothetical protein 0.0146 0.0302 0.0302
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0169 0.0169
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0058 0.0058
Brugia malayi Bromodomain containing protein 0.0031 0.0034 0.0034
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0035 0.6347
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0097 0.0097
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0188 0.0188
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0098 0.0098
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0016 0.0237
Loa Loa (eye worm) beta-lactamase 0.0035 0.0044 0.0044
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0048 0.0075 0.0075
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0044 0.0044
Echinococcus multilocularis muscleblind protein 0.0145 0.0298 0.0298
Echinococcus multilocularis protein patched 0.0041 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0035 0.0044 0.0044
Echinococcus multilocularis hyperpolarization activated cyclic 0.0019 0.0007 0.0007
Brugia malayi beta-lactamase family protein 0.0035 0.0044 0.0044
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0044 0.0903
Entamoeba histolytica hypothetical protein 0.0035 0.0044 0.1641
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0058 0.0058
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0029 0.0029
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0044 0.723
Echinococcus granulosus geminin 0.0169 0.0355 0.0355
Echinococcus multilocularis short transient receptor potential channel 6 0.0073 0.0133 0.0133
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0016 0.0326
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0019 0.0007 0.0007
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0015 0.0015
Onchocerca volvulus 0.0262 0.0571 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0029 0.0029
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0022 0.0015 0.0015
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0019 0.0007 0.0007
Plasmodium falciparum phd finger protein, putative 0.0028 0.0029 0.8145
Mycobacterium ulcerans beta-lactamase 0.0035 0.0044 0.0722
Echinococcus multilocularis sodium channel protein 0.0141 0.029 0.029
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0035 0.0718
Onchocerca volvulus 0.0035 0.0044 0.0497
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0047 0.0047
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0178 0.0178
Onchocerca volvulus 0.0035 0.0044 0.0497
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0035 0.1212
Loa Loa (eye worm) hypothetical protein 0.0039 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0039 0.0055 0.0055
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0041 0.0058 0.0058
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0016 0.0566
Mycobacterium ulcerans hypothetical protein 0.0023 0.0016 0.0237
Mycobacterium ulcerans tryptophan-rich sensory protein 0.0262 0.0571 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0044 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0146 0.0302 0.0302
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0016 0.0237
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0044 0.0903
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0019 0.0007 0.0007
Schistosoma mansoni serine/threonine protein kinase 0.4328 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.007 0.007
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0046 0.007 0.007
Schistosoma mansoni peripheral-type benzodiazepine receptor 0.0262 0.0571 0.0571
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.0279 0.0279
Echinococcus granulosus hyperpolarization activated cyclic 0.0019 0.0007 0.0007
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0044 0.723
Echinococcus multilocularis hyperpolarization activated cyclic 0.0019 0.0007 0.0007
Echinococcus multilocularis tumor protein p63 0.0327 0.0722 0.0722
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0044 0.0044
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0184 0.0184
Brugia malayi Bromodomain containing protein 0.0037 0.0049 0.0049
Brugia malayi beta-lactamase family protein 0.0035 0.0044 0.0044
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0184 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0058 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0035 0.0044 0.0044
Mycobacterium tuberculosis Conserved protein 0.0035 0.0044 0.0903
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0044 1
Echinococcus granulosus peregrin 0.0031 0.0034 0.0034
Echinococcus multilocularis voltage gated potassium channel 0.0022 0.0015 0.0015
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0014 0.0014
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0184 0.0184
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0044 0.0044
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0047 0.0047
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0178 0.0178
Echinococcus granulosus muscleblind protein 0.0145 0.0298 0.0298
Loa Loa (eye worm) hypothetical protein 0.0037 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0007
Mycobacterium ulcerans hypothetical protein 0.0035 0.0044 0.0722
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0016 0.0566
Loa Loa (eye worm) hypothetical protein 0.0023 0.0016 0.0016
Echinococcus granulosus calcium activated potassium channel 0.0025 0.0022 0.0022
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0044 1
Brugia malayi hypothetical protein 0.0035 0.0044 0.0044
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0042 0.0042
Mycobacterium ulcerans lipase LipD 0.0035 0.0044 0.0722
Mycobacterium tuberculosis Conserved protein 0.0035 0.0044 0.0903
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.048 1
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0003 0.084
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0019 0.0007 0.0007
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0058 0.0058
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0029 0.0029
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0019 0.0007 0.0007
Brugia malayi Latrophilin receptor protein 2 0.0046 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0035 0.0044 0.0044
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0029 0.6506
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0019 0.0007 0.0007
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.002 0.002
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0003 0.5
Schistosoma mansoni hypothetical protein 0.0046 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0035 0.0044 0.0044
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0141 0.029 1
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0046 0.007 0.007
Schistosoma mansoni transient receptor potential channel 4 0.0105 0.0207 0.0207
Schistosoma mansoni patched 1 0.0041 0.0058 0.0058
Entamoeba histolytica hypothetical protein 0.0035 0.0044 0.1641
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0016 0.0326
Echinococcus multilocularis short transient receptor potential channel 6 0.0073 0.0133 0.0133
Schistosoma mansoni voltage-gated potassium channel 0.0052 0.0083 0.0083
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0019 0.0007 0.0007
Toxoplasma gondii ABC1 family protein 0.0035 0.0044 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0048 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0262 0.0571 0.0571
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0003
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0146 0.0302 0.0302
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0019 0.0007 0.0007
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0035 0.0035
Brugia malayi Bromodomain containing protein 0.0073 0.0132 0.0132
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0035 0.0035
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0146 0.0302 0.0302
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0169 0.0169
Schistosoma mansoni hypothetical protein 0.0039 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0046 0.007 0.007
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0169 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0262 0.0571 0.0571
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0044 0.723
Schistosoma mansoni hypothetical protein 0.0169 0.0355 0.0355
Leishmania major hypothetical protein, conserved 0.0024 0.002 0.0682
Loa Loa (eye worm) hypothetical protein 0.0262 0.0571 0.0571
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0016 0.0237
Schistosoma mansoni zinc finger protein 0.0019 0.0007 0.0007
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0046 0.007 0.007
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0035 0.0035
Echinococcus multilocularis zinc finger protein 0.0019 0.0007 0.0007
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0169 0.0169
Loa Loa (eye worm) hypothetical protein 0.0095 0.0184 0.0184
Schistosoma mansoni hypothetical protein 0.0035 0.0044 0.0044
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0048 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0023 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0041 0.0059 0.0059
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0046 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0048 0.0074 0.0074
Schistosoma mansoni bromodomain containing protein 0.0061 0.0105 0.0105
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0785 0.1783 0.1783
Echinococcus granulosus TRP transient receptor potential channel 0.0046 0.007 0.007
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.4328 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.007 0.007
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0141 0.029 0.029
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0169 0.0169
Brugia malayi beta-lactamase 0.0035 0.0044 0.0044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0001 0.0001
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0014 0.0014
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0058 0.0058
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0035 0.0035
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.002 0.4096
Loa Loa (eye worm) hypothetical protein 0.0105 0.0207 0.0207
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0016 0.0016
Schistosoma mansoni transient receptor potential channel 0.0073 0.0133 0.0133
Schistosoma mansoni hypothetical protein 0.0039 0.0055 0.0055
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0044 0.0044
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0035 0.7988
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0054 0.0054
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0044 0.723
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0044 0.723
Loa Loa (eye worm) hypothetical protein 0.0145 0.0298 0.0298
Echinococcus multilocularis transient receptor potential ion channel A 0.0091 0.0174 0.0174
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0015 0.0015
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0044 0.0044
Echinococcus multilocularis transient receptor potential gamma protein 0.0105 0.0207 0.0207
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0035 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.007 0.007

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.