Detailed information for compound 1345527

Basic information

Technical information
  • TDR Targets ID: 1345527
  • Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(6-piperid in-1-yl-[1,2,4]triazolo[5,4-f]pyridazin-3-yl) propanamide
  • MW: 438.523 | Formula: C23H30N6O3
  • H donors: 1 H acceptors: 4 LogP: 2.48 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1CCNC(=O)CCc1nnc2n1nc(cc2)N1CCCCC1)OC
  • InChi: 1S/C23H30N6O3/c1-31-18-6-7-19(32-2)17(16-18)12-13-24-23(30)11-10-21-26-25-20-8-9-22(27-29(20)21)28-14-4-3-5-15-28/h6-9,16H,3-5,10-15H2,1-2H3,(H,24,30)
  • InChiKey: HLBKEOACSCIYMN-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[6-(1-piperidyl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]propanamide
  • N-[2-(2,5-dimethoxyphenyl)ethyl]-3-(6-piperidino-[1,2,4]triazolo[5,4-f]pyridazin-3-yl)propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis dna polymerase eta 0.0065 0.0282 0.109
Trypanosoma brucei DNA polymerase eta, putative 0.0065 0.0282 0.6367
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0 0.00000000017379
Echinococcus multilocularis Chromobox protein 3 0.0011 0 0.0002
Brugia malayi Thioredoxin reductase 0.0095 0.044 0.3668
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0147 0.3254
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.00000000070125
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0115 0.2508
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0141 0.9031
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.009 0.3027
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0042 0.035
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0115 0.771
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1917 1 1
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0297 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.00000000070125
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0039 0.0151
Schistosoma mansoni smad 0.0016 0.0028 0.0108
Brugia malayi MH2 domain containing protein 0.0016 0.0028 0.0229
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0258 0.2153
Trichomonas vaginalis MYB72, putative 0.0028 0.009 0.3027
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.024 0.1203 0.0208
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0147 0.3254
Trypanosoma brucei unspecified product 0.0039 0.0147 0.3254
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0216 0.1076 0.1452
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.009 0.3027
Loa Loa (eye worm) RNA binding protein 0.0063 0.0273 0.2274
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.0008 0.0244
Loa Loa (eye worm) hypothetical protein 0.0117 0.0558 0.4654
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0069 0.0572
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0042 0.035
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0541 0.2778 0.2774
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0273 0.1054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0042 0.035
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0091 0.3051
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0115 0.2508
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0273 0.1054
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Loa Loa (eye worm) MH2 domain-containing protein 0.0239 0.1197 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0273 0.2274
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0065 0.0536
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0024 0.0085
Entamoeba histolytica hypothetical protein 0.0071 0.0313 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0012 0.0006 0.002
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.009 0.3027
Echinococcus granulosus dna polymerase eta 0.0065 0.0282 0.109
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0042 0.0164
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0115 0.2508
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0011 0 0.00000000047383
Echinococcus granulosus smad 0.0016 0.0028 0.0108
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0115 0.2601
Schistosoma mansoni chromobox protein 0.0011 0 0.0002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0232 0.0898
Brugia malayi chromobox protein homolog 3 0.0038 0.0141 0.1176
Plasmodium vivax hypothetical protein, conserved 0.0011 0 0.00000000047383
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0008 0.0042
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.009 0.3027
Schistosoma mansoni chromobox protein 0.0011 0 0.0002
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.009 0.2872
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0083 0.2789
Brugia malayi Heterochromatin protein 1 0.0068 0.0297 0.2478
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0043 0.0844
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0115 0.2508
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.024 0.1203 0.1629
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0043 0.0164
Echinococcus granulosus chromobox protein 1 0.0068 0.0297 0.1149
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0043 0.0844
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0115 0.0101
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0028 0.0108
Schistosoma mansoni DNA polymerase IV / kappa 0.0012 0.0006 0.0023
Brugia malayi TAR-binding protein 0.0063 0.0273 0.2274
Schistosoma mansoni chromobox protein 0.0068 0.0297 0.1149
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0258 0.2153
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0232 0.0898
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0158 0.1318
Loa Loa (eye worm) hypothetical protein 0.0011 0 0.00000000017379
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0042 0.0164
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.044 0.1699
Trichomonas vaginalis pc-MYB2, putative 0.0028 0.009 0.3027
Echinococcus granulosus tar DNA binding protein 0.0063 0.0273 0.1054
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0216 0.1076 0.1452
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0115 0.385
Loa Loa (eye worm) hypothetical protein 0.006 0.0258 0.2153
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0115 0.0109
Trypanosoma cruzi DNA polymerase eta, putative 0.0065 0.0282 0.6367
Loa Loa (eye worm) hypothetical protein 0.003 0.0098 0.0817
Giardia lamblia Myb 1-like protein 0.0028 0.0091 0.6028
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0115 0.0411
Brugia malayi MH1 domain containing protein 0.0016 0.0028 0.0229
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0147 0.3254
Echinococcus granulosus Chromobox protein 3 0.0011 0 0.0002
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0115 0.0443
Echinococcus multilocularis Smad4 0.0016 0.0028 0.0108
Brugia malayi hypothetical protein 0.0024 0.0071 0.0587
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.1377 0.7165 1
Plasmodium falciparum glutathione reductase 0.0095 0.044 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0216 0.1076 0.1452
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0 0.000000000074902
Brugia malayi RNA binding protein 0.0063 0.0273 0.2274
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0084 0.1789
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0273 0.1054
Leishmania major DNA polymerase eta, putative 0.0065 0.0282 0.6367
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0043 0.0164
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0 0.0002
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0115 0.385
Trichomonas vaginalis MYB3r3, putative 0.0028 0.009 0.3027
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0043 0.0151
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0069 0.0572
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0147 0.0141
Leishmania major trypanothione reductase 0.0095 0.044 1
Leishmania major hypothetical protein, conserved 0.0024 0.0071 0.1495
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0043 0.0351
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0 0.0002
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0 0.00000000070125
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0115 0.2508
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0115 0.0411
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0071 0.1601
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.00000000070125
Schistosoma mansoni hypothetical protein 0.0071 0.0313 0.1211
Schistosoma mansoni hypothetical protein 0.0041 0.0158 0.0612
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.0147 0.4939
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.005 0.1123
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0115 0.2508
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0147 0.0568
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0216 0.1076 0.1452
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0541 0.2778 0.2795
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0 0.00000000017379
Loa Loa (eye worm) hypothetical protein 0.0019 0.0042 0.035
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0043 0.0351
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0 0.00000000070125
Echinococcus granulosus Chromo domain 0.0011 0 0.0002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0232 0.0898
Schistosoma mansoni hypothetical protein 0.0019 0.0042 0.0164
Schistosoma mansoni hypothetical protein 0.0504 0.2586 1
Trichomonas vaginalis pc-MYB2, putative 0.0028 0.009 0.3027
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0042 0.0164
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0147 0.3254
Echinococcus multilocularis geminin 0.0504 0.2586 1
Trichomonas vaginalis MYB, putative 0.0028 0.0091 0.3051
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0043 0.0844
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0 0.00000000070125
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.009 0.2872
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0147 0.0568
Plasmodium falciparum thioredoxin reductase 0.0033 0.0115 0.2601
Schistosoma mansoni chromobox protein 0.0068 0.0297 0.1149
Schistosoma mansoni Smad4 0.0016 0.0028 0.0108
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0 0.00000000070125
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0028 0.0108
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0232 0.1936
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1917 1 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0273 0.2274
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0141 0.3114
Brugia malayi Smad1 0.0016 0.0028 0.0229
Schistosoma mansoni smad1 5 8 and 0.0016 0.0028 0.0108
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0297 0.2478
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.0147 0.4686
Echinococcus granulosus geminin 0.0504 0.2586 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0011 0 0.0002
Echinococcus granulosus bloom syndrome protein 0.0023 0.0065 0.025
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0 0.0002
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0071 0.1601
Brugia malayi Associated with TFs and helicases family protein 0.0011 0 0.00000000017379
Schistosoma mansoni DNA polymerase eta 0.0065 0.0282 0.109
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.00000000066538
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0147 0.0568
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.00000000070125
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0008 0.0042
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0028 0.0229
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0 0.0002
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0042 0.0164
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0115 0.0443
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0115 0.0443
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0141 0.4746
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0273 0.1054
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0147 0.0147
Loa Loa (eye worm) glutathione reductase 0.0095 0.044 0.3668
Schistosoma mansoni hypothetical protein 0.0011 0 0.0002
Plasmodium falciparum DNA repair protein REV1, putative 0.0012 0.0006 0.0124
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0043 0.0164
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.00000000070125
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0147 0.0147
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.1377 0.7165 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0258 0.2153
Brugia malayi MH2 domain containing protein 0.0239 0.1197 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0115 0.2601
Echinococcus multilocularis chromobox protein 2 0.0011 0 0.0002
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0028 0.0108
Plasmodium vivax DNA repair protein REV1, putative 0.0012 0.0006 0.0124
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0071 0.1495
Echinococcus granulosus chromobox protein 1 0.0068 0.0297 0.1149
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0071 0.1495
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.009 0.2872
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0 0.00000000070125
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0115 0.2508
Echinococcus granulosus GPCR family 2 0.0019 0.0042 0.0164
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.009 0.3027
Trichomonas vaginalis C-MYB, putative 0.0028 0.009 0.3027
Echinococcus multilocularis chromobox protein 1 0.0068 0.0297 0.1149
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.009 0.3027
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0025 0.056
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.0147 0.4939
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0313 0.1211
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0095 0.044 0.0557
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0065 0.2163
Brugia malayi hypothetical protein 0.0071 0.0313 0.2612
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0232 0.0898
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.009 0.2872
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1917 1 1
Schistosoma mansoni smad1 5 8 and 0.0016 0.0028 0.0108
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0043 0.0957
Leishmania major DNA polymerase eta, putative 0.0038 0.0141 0.3114
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0071 0.0253
Brugia malayi glutathione reductase 0.0095 0.044 0.3668
Echinococcus multilocularis GPCR, family 2 0.0019 0.0042 0.0164
Echinococcus granulosus dna polymerase kappa 0.0039 0.0147 0.0568
Loa Loa (eye worm) RecQ helicase 0.0023 0.0065 0.0536
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0084 0.1789
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0147 0.0141
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.024 0.1203 0.1629
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0297 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0115 0.2508
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.009 0.2872
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0091 0.3051
Loa Loa (eye worm) hypothetical protein 0.0038 0.0141 0.1176
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0115 0.0109
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0 0.0002
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0065 0.2163
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0045
Mycobacterium tuberculosis Probable oxidoreductase 0.024 0.1203 0.1629
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0115 0.2508
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0147 0.1224
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Giardia lamblia DINP protein human, muc B family 0.0039 0.0147 1
Brugia malayi MH1 domain containing protein 0.0016 0.0028 0.0229
Brugia malayi hypothetical protein 0.0016 0.0025 0.0207
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0115 0.2601
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0043 0.0957
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0147 0.0568
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0147 0.0568
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0028 0.0108
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0147 0.1224
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0156 0.5254
Mycobacterium tuberculosis Probable dehydrogenase 0.0216 0.1076 0.1452
Brugia malayi ImpB/MucB/SamB family protein 0.0065 0.0282 0.2352
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Loa Loa (eye worm) hypothetical protein 0.0024 0.0071 0.0587
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0008 0.0042
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0043 0.0164
Schistosoma mansoni hypothetical protein 0.0019 0.0042 0.0164
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0115 0.2508
Mycobacterium tuberculosis Probable reductase 0.0216 0.1076 0.1452
Trypanosoma brucei unspecified product 0.0027 0.0084 0.1789
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0115 0.2508
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0043 0.0844
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0028 0.0091 0.0326
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0 0.00000000070125
Echinococcus multilocularis chromobox protein 1 0.0068 0.0297 0.1149
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0012 0.0006 0.002
Schistosoma mansoni hypothetical protein 0.0019 0.0042 0.0164
Loa Loa (eye worm) transcription factor SMAD2 0.0239 0.1197 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0115 0.2508
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0043 0.0151
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0273 0.1054
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0141 0.4746
Plasmodium vivax glutathione reductase, putative 0.0095 0.044 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0156 1
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0 0.0002
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0115 0.2508
Brugia malayi CHD4 protein 0.0011 0 0.00000000017379
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0084 0.1789
Entamoeba histolytica hypothetical protein 0.0011 0 0.00000000066538
Plasmodium falciparum glutathione reductase 0.0033 0.0115 0.2601
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0541 0.2778 1
Echinococcus granulosus Smad4 0.0016 0.0028 0.0108
Entamoeba histolytica hypothetical protein 0.0071 0.0313 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Loa Loa (eye worm) Smad1 0.0016 0.0028 0.0229
Schistosoma mansoni smad1 5 8 and 0.0016 0.0028 0.0108
Leishmania major DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Trichomonas vaginalis C-MYB, putative 0.0028 0.009 0.3027
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0115 0.2508
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0313 0.1211
Onchocerca volvulus 0.003 0.0098 0.6276
Plasmodium falciparum thioredoxin reductase 0.0095 0.044 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0273 0.1054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0232 0.0898
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0 0.0002
Plasmodium vivax thioredoxin reductase, putative 0.0095 0.044 1
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.044 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0043 0.0164
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0071 0.1601
Echinococcus multilocularis smad 0.0016 0.0028 0.0108
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0115 0.2508
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0043 0.0164
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0083 0.2789
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0541 0.2778 0.2694
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0 0.00000000070125
Loa Loa (eye worm) hypothetical protein 0.0065 0.0282 0.2352
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0115 0.2508
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0115 0.2601
Loa Loa (eye worm) thioredoxin reductase 0.0095 0.044 0.3668
Trypanosoma brucei trypanothione reductase 0.0095 0.044 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0156 0.5254
Brugia malayi isocitrate dehydrogenase 0.0019 0.0043 0.0351
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0071 0.1495
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0 0.00000000070125
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0313 0.1211
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0028 0.0229
Entamoeba histolytica hypothetical protein 0.0071 0.0313 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0115 0.0954
Echinococcus multilocularis Chromo domain 0.0011 0 0.0002
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0043 0.0844
Brugia malayi polk-prov protein 0.0012 0.0006 0.0045
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0141 0.0506
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0147 0.3254
Entamoeba histolytica hypothetical protein 0.0071 0.0313 1
Schistosoma mansoni hypothetical protein 0.0019 0.0042 0.0164
Toxoplasma gondii thioredoxin reductase 0.0095 0.044 0.1581
Brugia malayi MH2 domain containing protein 0.0016 0.0028 0.0229
Loa Loa (eye worm) hypothetical protein 0.0041 0.0158 0.1318
Schistosoma mansoni hypothetical protein 0.0504 0.2586 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0232 0.0898
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0273 0.2274
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0232 0.1936
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0232 0.0898
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.044 0.1699
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0043 0.0164
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0115 0.0109
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0008 0.0232
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0028 0.0108
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.00000000066538
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0065 0.025
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.00000000066538
Echinococcus granulosus chromobox protein 2 0.0011 0 0.0002
Trypanosoma brucei unspecified product 0.0027 0.0084 0.1789
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0115 0.2508

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 112.219 um PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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