Detailed information for compound 1425595

Basic information

Technical information
  • TDR Targets ID: 1425595
  • Name: N-(2,4-dimethoxyphenyl)-3-methyl-2-[(2-oxo-1, 3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylam ino]butanamide
  • MW: 475.558 | Formula: C23H29N3O6S
  • H donors: 3 H acceptors: 4 LogP: 2.6 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1NC(=O)C(C(C)C)NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
  • InChi: 1S/C23H29N3O6S/c1-14(2)22(23(28)25-19-10-8-16(31-3)13-20(19)32-4)26-33(29,30)17-9-11-18-15(12-17)6-5-7-21(27)24-18/h8-14,22,26H,5-7H2,1-4H3,(H,24,27)(H,25,28)
  • InChiKey: KGGLPVTZGXVEDO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-dimethoxyphenyl)-2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]-3-methyl-butyramide
  • G017-1043
  • NCGC00128157-01

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 apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni GTP-binding protein alpha subunit 0.0055 0.0161 0.0234
Loa Loa (eye worm) hypothetical protein 0.0152 0.0695 0.0685
Brugia malayi Cytochrome P450 family protein 0.0036 0.0055 0.0044
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0055 0.0161 0.0151
Loa Loa (eye worm) transcription factor SMAD2 0.1726 0.9314 0.9313
Brugia malayi MH2 domain containing protein 0.0053 0.0148 0.0137
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.0724 0.1038
Echinococcus granulosus GPCR family 2 0.0586 0.3068 0.4451
Toxoplasma gondii isocitrate dehydrogenase 0.0228 0.111 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.0563 0.0553
Echinococcus granulosus mothers against decapentaplegic 2 0.0053 0.0148 0.02
Brugia malayi mothers against decapentaplegic homolog 3 0.0053 0.0148 0.0137
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.0421 0.0598
Loa Loa (eye worm) RNA binding protein 0.0589 0.3088 0.3081
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0051 0.006
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0051 0.0041
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.056 0.2925 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Loa Loa (eye worm) MH2 domain-containing protein 0.0053 0.0148 0.0137
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0205 0.1316
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0205 0.0284
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0051 0.0203
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0228 0.111 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0061 0.0192 0.0264
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0228 0.111 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0377 0.3326
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0051 0.0271
Loa Loa (eye worm) Smad1 0.0118 0.0504 0.0494
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0724 0.1038
Mycobacterium tuberculosis Probable reductase 0.0085 0.0325 0.2853
Loa Loa (eye worm) hypothetical protein 0.0055 0.0161 0.0151
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0055 0.0161 0.0234
Onchocerca volvulus 0.0055 0.0161 0.0517
Schistosoma mansoni hypothetical protein 0.0586 0.3068 0.4459
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0421 0.2781
Schistosoma mansoni hypothetical protein 0.0586 0.3068 0.4459
Echinococcus multilocularis expressed protein 0.0055 0.0161 0.0219
Plasmodium falciparum ataxin-2 like protein, putative 0.0128 0.0563 0.4774
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0101 0.0472
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0055 0.0161 0.1016
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0028 0.0012 0.0001
Loa Loa (eye worm) hypothetical protein 0.0065 0.0216 0.0206
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Brugia malayi N-terminal motif family protein 0.056 0.2925 0.2917
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0325 0.2853
Trichomonas vaginalis glutaminase, putative 0.0297 0.1484 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Schistosoma mansoni microtubule-associated protein tau 0.1212 0.6497 0.9443
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1282 0.688 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0205 0.1765
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0055 0.0161 0.0151
Schistosoma mansoni alpha-glucosidase 0.0136 0.0604 0.0877
Trypanosoma cruzi cruzipain precursor, putative 0.005 0.0135 0.0975
Entamoeba histolytica G protein alpha subunit, putative 0.0055 0.0161 0.3655
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0377 0.3326
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0421 0.2781
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0061 0.0192 0.164
Plasmodium falciparum ataxin-2 like protein, putative 0.0128 0.0563 0.4774
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.1282 0.688 0.6877
Loa Loa (eye worm) glutaminase 2 0.0297 0.1484 0.1476
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0055 0.0161 0.0151
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0055 0.0161 0.1016
Schistosoma mansoni unc-13 (munc13) 0.0028 0.0012 0.0017
Echinococcus granulosus mothers against decapentaplegic 6 0.0053 0.0148 0.02
Brugia malayi MH2 domain containing protein 0.0118 0.0504 0.0494
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0586 0.3068 0.4451
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0205 0.0299
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0028 0.0012 0.0002
Leishmania major cathepsin L-like protease 0.005 0.0135 0.1123
Schistosoma mansoni tar DNA-binding protein 0.0589 0.3088 0.4488
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0028 0.0012 0.0002
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0055 0.0161 0.1016
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0228 0.111 0.1613
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0228 0.111 0.1601
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.1282 0.688 0.6877
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0061 0.0192 0.1223
Brugia malayi Probable isocitrate dehydrogenase 0.0028 0.0012 0.0001
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0055 0.0161 0.0219
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.0724 0.0714
Brugia malayi hypothetical protein 0.0083 0.0314 0.0304
Brugia malayi MH1 domain containing protein 0.0118 0.0504 0.0494
Schistosoma mansoni tar DNA-binding protein 0.0589 0.3088 0.4488
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0061 0.0192 0.0264
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0055 0.0161 0.0219
Schistosoma mansoni Smad4 0.0053 0.0148 0.0215
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0055 0.0044
Loa Loa (eye worm) hypothetical protein 0.0061 0.0192 0.0181
Echinococcus granulosus tar DNA binding protein 0.0589 0.3088 0.4479
Echinococcus multilocularis mothers against decapentaplegic 6 0.0053 0.0148 0.02
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0061 0.0192 0.1223
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0421 0.2781
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0228 0.111 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0101 0.0665
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0228 0.111 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0053 0.0148 0.047
Echinococcus granulosus smad 0.0118 0.0504 0.0718
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0205 0.1316
Trypanosoma brucei trypanothione reductase 0.0037 0.0064 0.0115
Loa Loa (eye worm) hypothetical protein 0.0055 0.0161 0.0151
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0055 0.0161 0.1016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Schistosoma mansoni regulator of G protein signaling 0.0028 0.0011 0.0015
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.0421 0.0598
Schistosoma mansoni tar DNA-binding protein 0.0589 0.3088 0.4488
Brugia malayi MH1 domain containing protein 0.0118 0.0504 0.0494
Echinococcus granulosus TGF beta signal transducer SmadC 0.0118 0.0504 0.0718
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0058 0.0175 0.024
Echinococcus granulosus microtubule associated protein 2 0.1212 0.6497 0.9443
Echinococcus granulosus dna polymerase eta 0.0044 0.0101 0.0132
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0055 0.0161 0.0151
Schistosoma mansoni alpha glucosidase 0.0035 0.0051 0.0075
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0055 0.0161 0.0234
Echinococcus multilocularis mothers against decapentaplegic 5 0.0118 0.0504 0.0718
Brugia malayi Calcitonin receptor-like protein seb-1 0.1851 1 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0055 0.0161 0.1016
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0051 0.0271
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0055 0.0161 0.0219
Echinococcus multilocularis microtubule associated protein 2 0.1212 0.6497 0.9443
Loa Loa (eye worm) hypothetical protein 0.0044 0.0101 0.0091
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0421 0.2781
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0051 0.0271
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0118 0.0504 0.0732
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0061 0.0192 0.1325
Schistosoma mansoni DNA polymerase eta 0.0044 0.0101 0.0147
Onchocerca volvulus 0.0055 0.0161 0.0517
Giardia lamblia Kinase, PLK 0.0102 0.0421 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0061 0.0192 0.0279
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0051 0.0271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1282 0.688 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0051 0.0271
Loa Loa (eye worm) hypothetical protein 0.056 0.2925 0.2917
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0055 0.0161 0.0151
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0055 0.0161 0.0219
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0228 0.111 0.1601
Brugia malayi MH2 domain containing protein 0.1726 0.9314 0.9313
Schistosoma mansoni hypothetical protein 0.0058 0.0175 0.0255
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.0421 1
Brugia malayi RNA recognition motif domain containing protein 0.0589 0.3088 0.3081
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0055 0.0161 0.0219
Loa Loa (eye worm) hypothetical protein 0.0065 0.0216 0.0206
Schistosoma mansoni tar DNA-binding protein 0.0589 0.3088 0.4488
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1282 0.688 1
Brugia malayi MH1 domain containing protein 0.0065 0.0216 0.0206
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0228 0.111 1
Brugia malayi G-protein alpha subunit 0.0055 0.0161 0.0151
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0325 0.2853
Brugia malayi MH1 domain containing protein 0.0065 0.0216 0.0206
Loa Loa (eye worm) hypothetical protein 0.0053 0.0148 0.0137
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0051 0.0041
Trypanosoma brucei PAB1-binding protein , putative 0.0128 0.0563 0.4834
Schistosoma mansoni smad1 5 8 and 0.0118 0.0504 0.0732
Leishmania major hypothetical protein, conserved 0.0128 0.0563 0.5022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0228 0.111 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Schistosoma mansoni hypothetical protein 0.0164 0.0759 0.1102
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.0724 0.0714
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.0135 0.0975
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0421 0.2781
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.0421 0.1409
Loa Loa (eye worm) MH1 domain-containing protein 0.0118 0.0504 0.0494
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0028 0.0012 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0589 0.3088 0.4488
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0064 0.0077
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0118 0.0504 0.0718
Loa Loa (eye worm) G protein alpha subunit 3 0.0055 0.0161 0.0151
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0055 0.0161 0.0219
Loa Loa (eye worm) latrophilin receptor protein 2 0.0586 0.3068 0.3061
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0421 0.2781
Brugia malayi TAR-binding protein 0.0589 0.3088 0.3081
Leishmania major cathepsin L-like protease 0.005 0.0135 0.1123
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0028 0.0012 0.0001
Echinococcus multilocularis geminin 0.0164 0.0759 0.1089
Schistosoma mansoni isocitrate dehydrogenase 0.0028 0.0012 0.0017
Plasmodium vivax ataxin-2 like protein, putative 0.0128 0.0563 0.4774
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0051 0.0372
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.0421 0.0411
Loa Loa (eye worm) hypothetical protein 0.1851 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0205 0.1316
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0061 0.0192 0.44
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0228 0.111 0.1601
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0205 0.1773
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0061 0.0192 0.0181
Echinococcus multilocularis ubiquitin specific protease 41 0.0061 0.0192 0.0264
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0061 0.0192 0.1501
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0205 0.0284
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0046 0.0111 0.0754
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.0135 0.0975
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0138 0.0856
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1282 0.688 1
Loa Loa (eye worm) hypothetical protein 0.0586 0.3068 0.3061
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0586 0.3068 0.3061
Brugia malayi Isocitrate dehydrogenase 0.0228 0.111 0.1101
Schistosoma mansoni GTP-binding protein alpha subunit 0.0055 0.0161 0.0234
Trypanosoma cruzi PAB1-binding protein , putative 0.0128 0.0563 0.4939
Loa Loa (eye worm) isocitrate dehydrogenase 0.0228 0.111 0.1101
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0055 0.0161 0.0219
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0055 0.0161 0.0234
Echinococcus multilocularis dna polymerase eta 0.0044 0.0101 0.0132
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0061 0.0192 0.1501
Brugia malayi glutathione reductase 0.0037 0.0064 0.0053
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0377 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0061 0.0192 0.0279
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.0325 0.8579
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0325 0.2853
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0051 0.0974
Toxoplasma gondii LsmAD domain-containing protein 0.0128 0.0563 0.5027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1282 0.688 1
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0028 0.0012 0.5
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0051 0.006
Loa Loa (eye worm) hypothetical protein 0.0055 0.0161 0.0151
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0055 0.0161 0.0234
Echinococcus granulosus Smad4 0.0118 0.0504 0.0718
Onchocerca volvulus 0.0152 0.0695 0.2349
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0055 0.0161 0.0151
Schistosoma mansoni smad1 5 8 and 0.0118 0.0504 0.0732
Echinococcus multilocularis smad 0.0118 0.0504 0.0718
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0051 0.0271
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0055 0.0161 0.0151
Trypanosoma cruzi PAB1-binding protein , putative 0.0128 0.0563 0.4939
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0421 0.3624
Schistosoma mansoni glutaminase 0.0297 0.1484 0.2158
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0061 0.0192 0.0264
Mycobacterium ulcerans glutaminase 0.0297 0.1484 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788
Echinococcus granulosus geminin 0.0164 0.0759 0.1089
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.0421 0.0411
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0055 0.0161 0.1016
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1851 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0228 0.111 1
Schistosoma mansoni alpha-glucosidase 0.0136 0.0604 0.0877
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0055 0.0161 0.0151
Schistosoma mansoni hypothetical protein 0.1265 0.6792 0.9871
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0055 0.0161 0.0219
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0001
Schistosoma mansoni hypothetical protein 0.0164 0.0759 0.1102
Brugia malayi Thioredoxin reductase 0.0037 0.0064 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0192 0.1223
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0055 0.0161 0.0151
Trypanosoma brucei polo-like protein kinase 0.0102 0.0421 0.3492
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0586 0.3068 0.4451
Echinococcus multilocularis isocitrate dehydrogenase 0.0228 0.111 0.1601
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0325 0.2853
Echinococcus multilocularis mothers against decapentaplegic 2 0.0053 0.0148 0.02
Leishmania major cathepsin L-like protease 0.005 0.0135 0.1123
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.003 0.0173
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0055 0.0161 0.0234
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0064 0.0316
Brugia malayi hypothetical protein 0.0055 0.0161 0.0151
Schistosoma mansoni z-protein (S1r protein) 0.0028 0.0011 0.0015
Brugia malayi RNA binding protein 0.0589 0.3088 0.3081
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0028 0.0011 0.0015
Onchocerca volvulus 0.0055 0.0161 0.0517
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0228 0.111 0.1601
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0051 0.0974
Schistosoma mansoni hypothetical protein 0.0586 0.3068 0.4459
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0064 0.0474
Leishmania major trypanothione reductase 0.0037 0.0064 0.0474
Schistosoma mansoni Smad4 0.0118 0.0504 0.0732
Loa Loa (eye worm) TAR-binding protein 0.0589 0.3088 0.3081
Leishmania major DNA polymerase eta, putative 0.0044 0.0101 0.0818
Brugia malayi MH2 domain containing protein 0.0118 0.0504 0.0494
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1282 0.688 1
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0055 0.0161 0.1016
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.0421 0.3729
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0028 0.0012 0.0001
Schistosoma mansoni dishevelled 0.0028 0.0011 0.0015
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0064 0.0077
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0051 0.0203
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0228 0.111 0.1601
Brugia malayi hypothetical protein 0.0152 0.0695 0.0685
Schistosoma mansoni dishevelled 0.0028 0.0011 0.0015
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0101 0.0091
Brugia malayi hypothetical protein 0.0128 0.0563 0.0553
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0055 0.0161 0.0234
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0421 0.2781
Echinococcus granulosus expressed protein 0.0055 0.0161 0.0219
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0421 0.3624
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0228 0.111 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0055 0.0161 0.1016
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0055 0.0161 0.0234
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0051 0.0271
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0504 0.0494
Onchocerca volvulus 0.0091 0.036 0.1198
Loa Loa (eye worm) hypothetical protein 0.0055 0.0161 0.0151
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0051 0.0271
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0138 0.0856
Loa Loa (eye worm) nuclear factor I 0.0065 0.0216 0.0206
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0061 0.0192 0.0264
Schistosoma mansoni hypothetical protein 0.0586 0.3068 0.4459
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0055 0.0161 0.0234
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0051 0.0271
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0064 0.0053
Echinococcus multilocularis Smad4 0.0118 0.0504 0.0718
Brugia malayi Latrophilin receptor protein 2 0.0586 0.3068 0.3061
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0055 0.0161 0.0219
Brugia malayi Probable isocitrate dehydrogenase 0.0028 0.0012 0.0001
Brugia malayi Smad1 0.0118 0.0504 0.0494
Echinococcus multilocularis GPCR, family 2 0.0586 0.3068 0.4451
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0055 0.0161 0.0234
Echinococcus granulosus mothers against decapentaplegic 5 0.0118 0.0504 0.0718
Leishmania major DNA polymerase eta, putative 0.0031 0.003 0.0164
Loa Loa (eye worm) glutathione reductase 0.0037 0.0064 0.0053
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0028 0.0012 0.0002
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0325 0.2853
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0055 0.0161 0.0151
Brugia malayi glutaminase DH11.1 0.0297 0.1484 0.1476
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0724 0.1038
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0055 0.0161 0.0234
Loa Loa (eye worm) hypothetical protein 0.0055 0.0161 0.0151
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0589 0.3088 0.3081
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0028 0.0012 0.0002
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0055 0.0161 0.0234
Schistosoma mansoni smad1 5 8 and 0.0118 0.0504 0.0732
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0051 0.0363
Echinococcus granulosus ubiquitin specific protease 41 0.0061 0.0192 0.0264
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0058 0.0175 0.024
Echinococcus multilocularis tar DNA binding protein 0.0589 0.3088 0.4479
Loa Loa (eye worm) MH1 domain-containing protein 0.0053 0.0148 0.0137
Schistosoma mansoni dep domain containing protein 0.0028 0.0011 0.0015
Schistosoma mansoni kinase 0.0052 0.0145 0.0211
Schistosoma mansoni Smad4 0.0053 0.0148 0.0215
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0205 0.0299
Schistosoma mansoni smad 0.0053 0.0148 0.0215
Brugia malayi isocitrate dehydrogenase 0.0228 0.111 0.1101
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0377 0.3326
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0421 0.0612
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0055 0.0161 0.0151
Loa Loa (eye worm) hypothetical protein 0.1265 0.6792 0.6788
Loa Loa (eye worm) MH2 domain-containing protein 0.1726 0.9314 0.9313
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1282 0.688 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0065 0.0216 0.4991
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0055 0.0161 0.0151
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0586 0.3068 0.4451
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0055 0.0161 0.0151
Toxoplasma gondii thioredoxin reductase 0.0037 0.0064 0.0483
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0028 0.0012 0.0001
Schistosoma mansoni smad 0.0118 0.0504 0.0732
Loa Loa (eye worm) glutaminase 0.0297 0.1484 0.1476
Toxoplasma gondii isocitrate dehydrogenase 0.0228 0.111 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0065 0.0216 0.4991
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0055 0.0161 0.0219
Trypanosoma cruzi major cysteine proteinase, putative 0.0039 0.0076 0.043
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0586 0.3068 0.4451
Brugia malayi latrophilin 2 splice variant baaae 0.1265 0.6792 0.6788
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0205 0.1765
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.0135 0.0975
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.005 0.0135 0.0788

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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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