Detailed information for compound 1294382

Basic information

Technical information
  • TDR Targets ID: 1294382
  • Name: 2-amino-1-(2-cyanophenyl)-4-(1,5-dimethylpyra zol-4-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3 -carbonitrile
  • MW: 384.434 | Formula: C22H20N6O
  • H donors: 1 H acceptors: 4 LogP: 2.13 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)N(C2=C(C1c1cnn(c1C)C)C(=O)CCC2)c1ccccc1C#N
  • InChi: 1S/C22H20N6O/c1-13-16(12-26-27(13)2)20-15(11-24)22(25)28(17-7-4-3-6-14(17)10-23)18-8-5-9-19(29)21(18)20/h3-4,6-7,12,20H,5,8-9,25H2,1-2H3
  • InChiKey: ZCFLXRQEYCOUSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-1-(2-cyanophenyl)-4-(1,5-dimethyl-4-pyrazolyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
  • 2-amino-1-(2-cyanophenyl)-4-(1,5-dimethylpyrazol-4-yl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile
  • Oprea1_667377
  • 2-amino-1-(2-cyanophenyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
  • MLS000699882
  • SMR000227849
  • AK-968/40939963

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
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 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
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 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0082 0.0166 0.1763
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0106 0.0233 0.0233
Schistosoma mansoni tar DNA-binding protein 0.1153 0.3177 0.3177
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0105 0.0231 0.0231
Loa Loa (eye worm) SH2 domain-containing protein 0.0082 0.0166 0.0385
Schistosoma mansoni suppressor of cytokine signaling 0.0082 0.0166 0.0166
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0029 0.0016 0.074
Echinococcus granulosus c src tyrosine kinase 0.0105 0.0231 0.0231
Toxoplasma gondii isocitrate dehydrogenase 0.01 0.0216 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0029 0.0016 0.5
Schistosoma mansoni smad1 5 8 and 0.0106 0.0233 0.0233
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0082 0.0166 0.0166
Onchocerca volvulus 0.0082 0.0166 0.1763
Echinococcus multilocularis tyrosine protein kinase Blk 0.0105 0.0231 0.0231
Echinococcus multilocularis muscleblind protein 1 0.018 0.0442 0.0442
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0082 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0029 0.0016 0.0037
Loa Loa (eye worm) SH2 domain-containing protein 0.0082 0.0166 0.0385
Echinococcus granulosus nibrin 0.0029 0.0016 0.0016
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0029 0.0016 0.0692
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0376 0.0993 0.0993
Onchocerca volvulus 0.0082 0.0166 0.1763
Brugia malayi hypothetical protein 0.0082 0.0166 0.0385
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0082 0.0166 0.0166
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Schistosoma mansoni shc transforming protein 0.0082 0.0166 0.0166
Loa Loa (eye worm) isocitrate dehydrogenase 0.01 0.0216 0.05
Echinococcus multilocularis c src tyrosine kinase 0.0105 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Echinococcus multilocularis tar DNA binding protein 0.1153 0.3177 0.3177
Brugia malayi protein-tyrosine kinase 0.0105 0.0231 0.0535
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0082 0.0166 0.1763
Plasmodium vivax replication factor C subunit 1, putative 0.0029 0.0016 0.074
Trypanosoma brucei PAB1-binding protein , putative 0.0078 0.0156 0.7223
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.01 0.0216 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.01 0.0216 0.0216
Loa Loa (eye worm) MH1 domain-containing protein 0.0106 0.0233 0.0541
Brugia malayi MH2 domain containing protein 0.0106 0.0233 0.0541
Echinococcus granulosus suppressor of cytokine signaling 7 0.0082 0.0166 0.0166
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1188 0.3277 0.76
Echinococcus granulosus tar DNA binding protein 0.1153 0.3177 0.3177
Schistosoma mansoni tyrosine kinase 0.0105 0.0231 0.0231
Brugia malayi hypothetical protein 0.0105 0.0231 0.0535
Schistosoma mansoni topbp1 0.0029 0.0016 0.0016
Brugia malayi isocitrate dehydrogenase 0.01 0.0216 0.05
Echinococcus granulosus hypothetical protein 0.0082 0.0166 0.0166
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0082 0.0166 0.0166
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0358 0.0942 1
Schistosoma mansoni signal transduction protein lnk-related 0.0082 0.0166 0.0166
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0082 0.0166 0.0166
Echinococcus multilocularis GPCR, family 2 0.0376 0.0993 0.0993
Loa Loa (eye worm) nuclear factor I 0.0059 0.01 0.0232
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Echinococcus granulosus tensin 0.0082 0.0166 0.0166
Schistosoma mansoni tensin 0.0082 0.0166 0.0166
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0082 0.0166 0.0385
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0082 0.0166 0.0385
Echinococcus multilocularis smad 0.0106 0.0233 0.0233
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0016 1
Brugia malayi SH2 domain containing protein 0.0082 0.0166 0.0385
Echinococcus granulosus tyrosine protein kinase Fyn 0.0105 0.0231 0.0231
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.01 0.0216 0.0216
Echinococcus granulosus signal transduction protein lnk realted 0.0082 0.0166 0.0166
Schistosoma mansoni hypothetical protein 0.0376 0.0993 0.0993
Loa Loa (eye worm) hypothetical protein 0.0105 0.0231 0.0535
Onchocerca volvulus 0.0029 0.0016 0.017
Loa Loa (eye worm) hypothetical protein 0.0029 0.0016 0.0037
Schistosoma mansoni Smad4 0.0106 0.0233 0.0233
Brugia malayi hypothetical protein 0.0029 0.0016 0.0037
Plasmodium vivax ataxin-2 like protein, putative 0.0078 0.0156 0.7223
Loa Loa (eye worm) MH2 domain-containing protein 0.0047 0.0068 0.0159
Echinococcus granulosus tyrosine protein kinase ABL1 0.0105 0.0231 0.0231
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0082 0.0166 0.0166
Loa Loa (eye worm) MH2 domain-containing protein 0.1556 0.4312 1
Brugia malayi tRNA modification GTPase TrmE family protein 0.0082 0.0166 0.0385
Echinococcus granulosus tyrosine protein kinase Fyn 0.0105 0.0231 0.0231
Echinococcus granulosus SHC transforming protein 3 0.0082 0.0166 0.0166
Echinococcus multilocularis mothers against decapentaplegic 5 0.0106 0.0233 0.0233
Echinococcus granulosus muscleblind protein 0.018 0.0442 0.0442
Schistosoma mansoni tensin 0.0082 0.0166 0.0166
Onchocerca volvulus 0.0105 0.0231 0.2451
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0105 0.0231 0.0231
Brugia malayi MH2 domain containing protein 0.1556 0.4312 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Echinococcus granulosus replication factor c subunit 1 0.0029 0.0016 0.0016
Loa Loa (eye worm) SH2 domain-containing protein 0.0082 0.0166 0.0385
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0082 0.0166 0.0385
Echinococcus granulosus smad 0.0106 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Brugia malayi Variant SH3 domain containing protein 0.0082 0.0166 0.0385
Brugia malayi hypothetical protein 0.0078 0.0156 0.0361
Schistosoma mansoni tyrosine kinase 0.0105 0.0231 0.0231
Echinococcus granulosus TGF beta signal transducer SmadC 0.0106 0.0233 0.0233
Loa Loa (eye worm) STAT protein 0.0082 0.0166 0.0385
Echinococcus granulosus tyrosine protein kinase Lyn 0.0105 0.0231 0.0231
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0105 0.0231 0.0231
Echinococcus granulosus N chimaerin 0.0082 0.0166 0.0166
Brugia malayi Protein kinase domain containing protein 0.0105 0.0231 0.0535
Brugia malayi Protein kinase domain containing protein 0.0105 0.0231 0.0535
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0376 0.0993 0.0993
Loa Loa (eye worm) hypothetical protein 0.0047 0.0068 0.0159
Brugia malayi Pax transcription activation domain interacting protein 0.0029 0.0016 0.0037
Schistosoma mansoni nck2/grb4 0.0082 0.0166 0.0166
Echinococcus multilocularis SHC transforming protein 3 0.0082 0.0166 0.0166
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0105 0.0231 0.0231
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0376 0.0993 0.0993
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Schistosoma mansoni hypothetical protein 0.0376 0.0993 0.0993
Schistosoma mansoni DNA ligase IV 0.0029 0.0016 0.0016
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0082 0.0166 0.0385
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0029 0.0016 0.074
Echinococcus granulosus tyrosine protein kinase Blk 0.0105 0.0231 0.0231
Schistosoma mansoni growth factor receptor-bound protein 0.0082 0.0166 0.0166
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.01 0.0216 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.01 0.0216 0.0216
Trypanosoma cruzi FHA domain containing protein, putative 0.0029 0.0016 0.074
Onchocerca volvulus 0.0105 0.0231 0.2451
Schistosoma mansoni tyrosine kinase 0.0105 0.0231 0.0231
Brugia malayi Protein kinase domain containing protein 0.0105 0.0231 0.0535
Toxoplasma gondii LsmAD domain-containing protein 0.0078 0.0156 0.7223
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0034 0.0034
Echinococcus multilocularis tensin 0.0082 0.0166 0.0166
Schistosoma mansoni tar DNA-binding protein 0.1153 0.3177 0.3177
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0016 1
Echinococcus multilocularis SH2 domain containing protein 7 0.0082 0.0166 0.0166
Loa Loa (eye worm) Smad1 0.0106 0.0233 0.0541
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0082 0.0166 0.0166
Brugia malayi Calcitonin receptor-like protein seb-1 0.1188 0.3277 0.76
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.01 0.0216 1
Loa Loa (eye worm) hypothetical protein 0.0812 0.222 0.5148
Echinococcus multilocularis signal transduction protein lnk realted 0.0082 0.0166 0.0166
Brugia malayi RNA binding protein 0.1153 0.3177 0.7368
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0376 0.0993 0.2302
Echinococcus granulosus tyrosine protein kinase Srms 0.0105 0.0231 0.0231
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0082 0.0166 0.0166
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.01 0.0216 1
Echinococcus multilocularis N chimaerin 0.0082 0.0166 0.0166
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0105 0.0231 0.0231
Schistosoma mansoni tyrosine kinase 0.3497 0.9769 0.9769
Schistosoma mansoni tensin-related 0.0082 0.0166 0.0166
Chlamydia trachomatis DNA ligase 0.0029 0.0016 0.5
Schistosoma mansoni hypothetical protein 0.0082 0.0166 0.0166
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0029 0.0016 1
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0082 0.0166 0.0166
Brugia malayi RNA recognition motif domain containing protein 0.1153 0.3177 0.7368
Leishmania major hypothetical protein, conserved 0.0078 0.0156 0.7223
Loa Loa (eye worm) TK/ABL protein kinase 0.0105 0.0231 0.0535
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0034 0.0034
Brugia malayi Protein kinase domain containing protein 0.0105 0.0231 0.0535
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0082 0.0166 0.7192
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0156 0.7223
Schistosoma mansoni tyrosine kinase 0.0105 0.0231 0.0231
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0082 0.0166 0.0166
Schistosoma mansoni GTPase activating protein 0.0082 0.0166 0.0166
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0016 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0082 0.0166 0.0166
Brugia malayi SRC-1 0.0105 0.0231 0.0535
Brugia malayi Latrophilin receptor protein 2 0.0376 0.0993 0.2302
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0105 0.0231 0.0231
Onchocerca volvulus 0.0105 0.0231 0.2451
Schistosoma mansoni tar DNA-binding protein 0.1153 0.3177 0.3177
Brugia malayi cytokine inducible SH2-containing protein 5 0.0082 0.0166 0.0385
Brugia malayi MH1 domain containing protein 0.0059 0.01 0.0232
Brugia malayi Tyrosine-protein kinase abl-1 0.0105 0.0231 0.0535
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0105 0.0231 0.0231
Schistosoma mansoni smad 0.0106 0.0233 0.0233
Brugia malayi MH1 domain containing protein 0.0059 0.01 0.0232
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0082 0.0166 0.0166
Onchocerca volvulus 0.0105 0.0231 0.2451
Echinococcus multilocularis mothers against decapentaplegic 2 0.0047 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Echinococcus multilocularis tyrosine protein kinase Abl 0.0105 0.0231 0.0231
Echinococcus multilocularis SH2 motif 0.0082 0.0166 0.0166
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0376 0.0993 0.0993
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Brugia malayi SH2 domain containing protein 0.0082 0.0166 0.0385
Brugia malayi mothers against decapentaplegic homolog 3 0.0047 0.0068 0.0159
Schistosoma mansoni suppressor of cytokine signaling 0.0082 0.0166 0.0166
Echinococcus granulosus suppressor of cytokine signaling 6 0.0082 0.0166 0.0166
Schistosoma mansoni hypothetical protein 0.0376 0.0993 0.0993
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0029 0.0016 1
Echinococcus granulosus tyrosine kinase 0.0105 0.0231 0.0231
Loa Loa (eye worm) latrophilin receptor protein 2 0.0376 0.0993 0.2302
Schistosoma mansoni Smad4 0.0047 0.0068 0.0068
Brugia malayi hypothetical protein 0.0051 0.0078 0.018
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0105 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0078 0.0156 0.0361
Brugia malayi SH2 domain containing protein 0.0105 0.0231 0.0535
Brugia malayi latrophilin 2 splice variant baaae 0.0812 0.222 0.5148
Loa Loa (eye worm) TK protein kinase 0.0105 0.0231 0.0535
Echinococcus multilocularis growth factor receptor bound protein 2 0.0082 0.0166 0.0166
Loa Loa (eye worm) RNA binding protein 0.1153 0.3177 0.7368
Brugia malayi Variant SH3 domain containing protein 0.0082 0.0166 0.0385
Loa Loa (eye worm) hypothetical protein 0.0029 0.0016 0.0037
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0082 0.0166 0.0166
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.01 0.0216 0.0216
Echinococcus granulosus mothers against decapentaplegic 6 0.0047 0.0068 0.0068
Onchocerca volvulus 0.0082 0.0166 0.1763
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0029 0.0016 1
Schistosoma mansoni hypothetical protein 0.0812 0.222 0.222
Schistosoma mansoni hypothetical protein 0.0082 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0029 0.0016 0.0037
Schistosoma mansoni tar DNA-binding protein 0.1153 0.3177 0.3177
Schistosoma mansoni tensin-related 0.0082 0.0166 0.0166
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0105 0.0231 0.0231
Brugia malayi topoisomerase 0.0029 0.0016 0.0037
Echinococcus granulosus mothers against decapentaplegic 2 0.0047 0.0068 0.0068
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Echinococcus multilocularis 0.0082 0.0166 0.0166
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0082 0.0166 0.0385
Brugia malayi Smad1 0.0106 0.0233 0.0541
Loa Loa (eye worm) hypothetical protein 0.018 0.0442 0.1026
Loa Loa (eye worm) transcription factor SMAD2 0.1556 0.4312 1
Echinococcus multilocularis Smad4 0.0106 0.0233 0.0233
Echinococcus multilocularis SH2 motif 0.0082 0.0166 0.0166
Schistosoma mansoni tyrosine kinase 0.0105 0.0231 0.0231
Onchocerca volvulus 0.0082 0.0166 0.1763
Brugia malayi SH2 domain containing protein 0.0082 0.0166 0.0385
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0106 0.0233 0.0233
Loa Loa (eye worm) MH2 domain-containing protein 0.0106 0.0233 0.0541
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0156 0.7223
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0105 0.0231 0.0231
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Schistosoma mansoni tensin 0.0082 0.0166 0.0166
Onchocerca volvulus 0.0105 0.0231 0.2451
Brugia malayi DKFZp564C0469 protein 0.0029 0.0016 0.0037
Echinococcus granulosus tyrosine protein kinase Fyn 0.0105 0.0231 0.0231
Echinococcus granulosus SH2 motif 0.0082 0.0166 0.0166
Brugia malayi Protein kinase domain containing protein 0.0105 0.0231 0.0535
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0082 0.0166 0.0166
Loa Loa (eye worm) SRC-1 0.0105 0.0231 0.0535
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0105 0.0231 0.0231
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0082 0.0166 0.0166
Trichomonas vaginalis replication factor C large subunit, putative 0.0029 0.0016 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0105 0.0231 0.0231
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0156 0.7223
Schistosoma mansoni Smad4 0.0047 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Brugia malayi STAT protein, DNA binding domain containing protein 0.0082 0.0166 0.0385
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0082 0.0166 0.0166
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.01 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0029 0.0016 0.0037
Toxoplasma gondii isocitrate dehydrogenase 0.01 0.0216 1
Brugia malayi Isocitrate dehydrogenase 0.01 0.0216 0.05
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0029 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.1188 0.3277 0.76
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0105 0.0231 0.0231
Schistosoma mansoni hypothetical protein 0.0035 0.0034 0.0034
Echinococcus multilocularis tensin 0.0082 0.0166 0.0166
Schistosoma mansoni growth factor receptor-bound protein 0.0082 0.0166 0.0166
Echinococcus granulosus expressed conserved protein 0.0082 0.0166 0.0166
Echinococcus multilocularis muscleblind protein 0.018 0.0442 0.0442
Schistosoma mansoni tar DNA-binding protein 0.1153 0.3177 0.3177
Entamoeba histolytica hypothetical protein 0.0029 0.0016 0.0692
Echinococcus granulosus mothers against decapentaplegic 5 0.0106 0.0233 0.0233
Brugia malayi Muscleblind-like protein 0.018 0.0442 0.1026
Brugia malayi RhoGAP domain containing protein 0.0082 0.0166 0.0385
Echinococcus granulosus tyrosine protein kinase Src42A 0.0105 0.0231 0.0231
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0105 0.0231 0.0231
Schistosoma mansoni adapter molecule crk 0.0082 0.0166 0.0166
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0082 0.0166 0.0166
Brugia malayi MH2 domain containing protein 0.0106 0.0233 0.0541
Giardia lamblia Replication factor C, subunit 1 0.0029 0.0016 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0105 0.0231 0.0231
Schistosoma mansoni smad1 5 8 and 0.0106 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0059 0.01 0.0232
Entamoeba histolytica protein kinase, putative 0.0082 0.0166 0.7192
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.01 0.0216 1
Brugia malayi N-terminal motif family protein 0.0358 0.0942 0.2185
Brugia malayi Variant SH3 domain containing protein 0.0082 0.0166 0.0385
Echinococcus granulosus SH2 motif 0.0082 0.0166 0.0166
Loa Loa (eye worm) TAR-binding protein 0.1153 0.3177 0.7368
Schistosoma mansoni vav2 0.0082 0.0166 0.0166
Brugia malayi MH1 domain containing protein 0.0106 0.0233 0.0541
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0082 0.0166 0.0385
Loa Loa (eye worm) TK/FER protein kinase 0.0105 0.0231 0.0535
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.01 0.0216 0.0216
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0082 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.018 0.0442 0.1026
Brugia malayi TAR-binding protein 0.1153 0.3177 0.7368
Trypanosoma brucei isocitrate dehydrogenase, putative 0.01 0.0216 1
Brugia malayi Variant SH3 domain containing protein 0.0082 0.0166 0.0385
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1153 0.3177 0.7368
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1188 0.3277 0.76
Brugia malayi Sex muscle abnormal protein 5 0.0082 0.0166 0.0385
Treponema pallidum DNA ligase (lig) 0.0029 0.0016 0.5
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0047 0.0068 0.0727
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0029 0.0016 0.074
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0082 0.0166 0.0385
Schistosoma mansoni hypothetical protein 0.0376 0.0993 0.0993
Echinococcus granulosus growth factor receptor bound protein 2 0.0082 0.0166 0.0166
Brugia malayi hypothetical protein 0.0029 0.0016 0.0037
Loa Loa (eye worm) hypothetical protein 0.0082 0.0166 0.0385
Echinococcus granulosus SH2 domain containing protein 7 0.0082 0.0166 0.0166
Brugia malayi SH2 domain containing protein 0.0082 0.0166 0.0385
Loa Loa (eye worm) MH1 domain-containing protein 0.0047 0.0068 0.0159
Echinococcus multilocularis isocitrate dehydrogenase 0.01 0.0216 0.0216
Schistosoma mansoni topbp1 0.0029 0.0016 0.0016
Brugia malayi MH1 domain containing protein 0.0106 0.0233 0.0541
Brugia malayi SH2 domain containing protein 0.0082 0.0166 0.0385
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0016 0.074
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0105 0.0231 1
Echinococcus multilocularis SH2 motif 0.0082 0.0166 0.0166
Echinococcus granulosus GPCR family 2 0.0376 0.0993 0.0993
Echinococcus multilocularis NCK adaptor protein 0.0082 0.0166 0.0166
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0016 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0016 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0105 0.0231 0.0231
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0082 0.0166 0.0166
Brugia malayi MH2 domain containing protein 0.0047 0.0068 0.0159
Brugia malayi SH2 domain containing protein 0.0105 0.0231 0.0535
Loa Loa (eye worm) hypothetical protein 0.0376 0.0993 0.2302
Loa Loa (eye worm) hypothetical protein 0.0029 0.0016 0.0037
Echinococcus multilocularis nibrin 0.0029 0.0016 0.0016
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0082 0.0166 0.1763
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0105 0.0231 0.0231
Brugia malayi SH2 domain containing protein 0.0082 0.0166 0.0385
Schistosoma mansoni smad1 5 8 and 0.0106 0.0233 0.0233
Onchocerca volvulus 0.0105 0.0231 0.2451
Plasmodium falciparum replication factor C subunit 1, putative 0.0029 0.0016 0.074
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0029 0.0016 0.0037
Echinococcus granulosus NCK adaptor protein 0.0082 0.0166 0.0166
Schistosoma mansoni SH2A 0.0082 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0358 0.0942 0.2185
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.01 0.0216 1
Echinococcus multilocularis replication factor c subunit 1 0.0029 0.0016 0.0016
Brugia malayi Tensin 0.0082 0.0166 0.0385
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0105 0.0231 0.0231
Echinococcus granulosus SH2 domain containing adapter protein F 0.0082 0.0166 0.0166
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0105 0.0231 0.0231
Echinococcus granulosus Smad4 0.0106 0.0233 0.0233
Onchocerca volvulus 0.0082 0.0166 0.1763
Entamoeba histolytica SH2 domain containing protein 0.0082 0.0166 0.7192
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0016 0.074
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0029 0.0016 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.01 0.0216 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0105 0.0231 0.0231
Brugia malayi SH2 domain containing protein 0.0082 0.0166 0.0385
Schistosoma mansoni chromosome transmission fidelity factor 0.0029 0.0016 0.0016
Toxoplasma gondii ATPase, AAA family protein 0.0029 0.0016 0.074
Schistosoma mansoni smad 0.0047 0.0068 0.0068
Echinococcus granulosus tyrosine kinase 0.0105 0.0231 0.0231
Echinococcus granulosus tyrosine protein kinase Src64B 0.0105 0.0231 0.0231
Echinococcus multilocularis mothers against decapentaplegic 6 0.0047 0.0068 0.0068
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0029 0.0016 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0156 0.7223
Echinococcus granulosus tyrosine protein kinase Src42A 0.0082 0.0166 0.0166
Echinococcus multilocularis tyrosine kinase 0.0105 0.0231 0.0231

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.8913 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 (binding) 1.4125 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 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

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.
 
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.

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