Detailed information for compound 28771

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.421 | Formula: C18H22N8
  • H donors: 2 H acceptors: 0 LogP: 4.94 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: [N-]=[N+]=Nc1cccc(c1)CNCCCCNCc1cccc(c1)N=[N+]=[N-]
  • InChi: 1S/C18H22N8/c19-25-23-17-7-3-5-15(11-17)13-21-9-1-2-10-22-14-16-6-4-8-18(12-16)24-26-20/h3-8,11-12,21-22H,1-2,9-10,13-14H2
  • InChiKey: MHYNYULJPBTDCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus serotonin transporter 0.0148 0.0407 0.1973
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0042 0.008 0.0273
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0059 0.0117
Brugia malayi Serotonin receptor 0.0458 0.1365 0.1881
Loa Loa (eye worm) hypothetical protein 0.0024 0.0022 0.0198
Echinococcus multilocularis 0.0042 0.008 0.0158
Echinococcus multilocularis ecdysone induced protein 78C 0.0017 0.0003 0.0005
Brugia malayi hypothetical protein 0.0036 0.0059 0.0082
Echinococcus granulosus FTZ F1 alpha 0.0017 0.0003 0.0013
Treponema pallidum glutamate/aspartate transporter 0.0163 0.0453 1
Loa Loa (eye worm) norepinephrine transporter 0.0148 0.0407 0.3744
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0003 0.0004
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.001 0.0019
Onchocerca volvulus 0.0025 0.0026 0.0024
Loa Loa (eye worm) hypothetical protein 0.0042 0.008 0.0737
Loa Loa (eye worm) hypothetical protein 0.0051 0.0108 0.0991
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.008 0.0475
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0022 0.0127
Echinococcus granulosus Excitatory amino acid transporter 0.0368 0.1086 0.5269
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0017 0.0003 0.0013
Echinococcus granulosus sodium:dicarboxylate symporter 0.0368 0.1086 0.5269
Brugia malayi ecdysteroid receptor 0.0017 0.0003 0.0004
Plasmodium vivax telomerase reverse transcriptase, putative 0.0888 0.2694 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.008 0.0737
Echinococcus multilocularis conserved hypothetical protein 0.0676 0.204 0.4021
Loa Loa (eye worm) hypothetical protein 0.0025 0.0026 0.0244
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0017 0.0003 0.0013
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0022 0.0102
Loa Loa (eye worm) hypothetical protein 0.0052 0.0111 0.102
Chlamydia trachomatis glutamate symporter 0.0368 0.1086 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0017 0.0003 0.0005
Chlamydia trachomatis neutral amino acid transporter 0.0163 0.0453 0.4153
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0026 0.0036
Schistosoma mansoni hypothetical protein 0.004 0.0074 0.0679
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0017 0.0003 0.0025
Chlamydia trachomatis protoporphyrinogen oxidase 0.0042 0.008 0.071
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0017 0.0003 0.0013
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0054 0.0115 0.0979
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0022 0.0483
Echinococcus granulosus lysine specific histone demethylase 1A 0.0042 0.008 0.0388
Loa Loa (eye worm) hypothetical protein 0.0025 0.0026 0.0244
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0022 0.0102
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.001 0.0014
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0251 0.0495
Schistosoma mansoni ap endonuclease 0.002 0.001 0.0091
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0017 0.0003 0.0025
Treponema pallidum DNA polymerase I (polA) 0.0054 0.0115 0.2379
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0029
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0111 0.0153
Loa Loa (eye worm) hypothetical protein 0.0148 0.0407 0.3744
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0026 0.0244
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0256 0.2353
Schistosoma mansoni steroid hormone receptor ad4bp 0.0017 0.0003 0.0025
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.001 0.0048
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0038 0.0067 0.0213
Echinococcus multilocularis FTZ F1 alpha 0.0017 0.0003 0.0005
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0026 0.0244
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0022 0.0102
Loa Loa (eye worm) hypothetical protein 0.0024 0.0022 0.0198
Echinococcus multilocularis excitatory amino acid transporter 3 0.0368 0.1086 0.2141
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0148 0.0407 0.0561
Chlamydia trachomatis DNA polymerase I 0.0054 0.0115 0.1035
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0078 0.038
Trypanosoma brucei telomerase reverse transcriptase 0.0888 0.2694 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0003 0.0013
Brugia malayi Excitatory amino acid transporter 0.0368 0.1086 0.1497
Schistosoma mansoni hypothetical protein 0.0036 0.0059 0.0545
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0042 0.008 0.0737
Onchocerca volvulus 0.0024 0.0022 0.0019
Entamoeba histolytica hypothetical protein 0.0036 0.0059 0.2045
Schistosoma mansoni hypothetical protein 0.004 0.0074 0.0679
Loa Loa (eye worm) hypothetical protein 0.0148 0.0407 0.3744
Leishmania major telomerase reverse transcriptase, putative 0.0888 0.2694 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0026 0.0244
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.001 0.0037
Loa Loa (eye worm) hypothetical protein 0.0042 0.0078 0.0722
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0003 0.0025
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.001 0.0025
Echinococcus granulosus neutral amino acid transporter A 0.0368 0.1086 0.5269
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.0381 0.1846
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0038 0.0067 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0148 0.0407 0.3744
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.001 0.0025
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0026 0.0074
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0029
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0025 0.0026 0.0052
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0022 0.003
Toxoplasma gondii hypothetical protein 0.0025 0.0026 0.0074
Plasmodium falciparum telomerase reverse transcriptase 0.0888 0.2694 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0042 0.008 0.0286
Schistosoma mansoni hypothetical protein 0.004 0.0074 0.0679
Toxoplasma gondii RNA-directed DNA polymerase 0.0888 0.2694 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0017 0.0003 0.0025
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0003 0.0025
Onchocerca volvulus 0.0025 0.0026 0.0024
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0025
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0025 0.0026 0.0216
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0026 0.0052
Echinococcus multilocularis protoporphyrinogen oxidase 0.0042 0.008 0.0158
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0022 0.003
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0022 0.0102
Brugia malayi photoreceptor-specific nuclear receptor 0.0017 0.0003 0.0004
Mycobacterium ulcerans dehydrogenase 0.0042 0.008 0.0425
Echinococcus granulosus excitatory amino acid transporter 2 0.0368 0.1086 0.5269
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0026 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0003 0.0004
Echinococcus granulosus ecdysone induced protein 78C 0.0017 0.0003 0.0013
Mycobacterium ulcerans monoamine oxidase 0.0042 0.008 0.0425
Plasmodium vivax hypothetical protein, conserved 0.0042 0.008 0.0286
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0022 0.0102
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0026 0.0244
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0368 0.1086 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0603 0.1814 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0148 0.0407 0.3744
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0251 0.0346
Plasmodium vivax hypothetical protein, conserved 0.0042 0.008 0.0286
Mycobacterium ulcerans DNA polymerase I 0.0054 0.0115 0.0619
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.001 0.0091
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0029
Echinococcus granulosus lysine specific histone demethylase 1A 0.0042 0.008 0.0388
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0022 0.0483
Schistosoma mansoni amine oxidase 0.0042 0.008 0.0737
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0078 0.0722
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0017 0.0003 0.0013
Schistosoma mansoni coup transcription factor 0.0017 0.0003 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0017 0.0003 0.0025
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0026 0.0244
Echinococcus multilocularis excitatory amino acid transporter 2 0.0368 0.1086 0.2141
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0017 0.0003 0.0005
Loa Loa (eye worm) hypothetical protein 0.0024 0.0022 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0003 0.0004
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.0251 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0003 0.0004
Loa Loa (eye worm) serotonin transporter b 0.0148 0.0407 0.3744
Echinococcus granulosus neutral amino acid transporter 0.0368 0.1086 0.5269
Brugia malayi hypothetical protein 0.0025 0.0026 0.0036
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0003 0.0005
Echinococcus granulosus Excitatory amino acid transporter 0.0368 0.1086 0.5269
Mycobacterium tuberculosis Possible oxidoreductase 0.0042 0.008 0.0475
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0026 0.0128
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0042 0.008 0.0286
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0054 0.0115 0.0684
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.0381 0.075
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0017 0.0003 0.0025
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0022 0.0127
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0163 0.0453 0.417
Trypanosoma cruzi UDP-galactopyranose mutase 0.0042 0.008 0.0262
Echinococcus granulosus expressed conserved protein 0.0092 0.0233 0.1128
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0026 0.0036
Mycobacterium ulcerans 5'-3' exonuclease 0.0038 0.0067 0.0353
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0059 0.0545
Echinococcus multilocularis Excitatory amino acid transporter 0.0368 0.1086 0.2141
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0042 0.008 0.0286
Loa Loa (eye worm) excitatory amino acid transporter 0.0368 0.1086 1
Schistosoma mansoni RAR-like nuclear receptor 0.0017 0.0003 0.0025
Plasmodium falciparum transporter, putative 0.0025 0.0026 0.0087
Onchocerca volvulus 0.0148 0.0407 0.0404
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0111 0.102
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0022 0.0102
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0054 0.0115 1
Echinococcus multilocularis protein dispatched 1 0.0048 0.0097 0.0191
Brugia malayi Telomerase reverse transcriptase 0.2363 0.7255 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0022 0.0102
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0017 0.0003 0.0025
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1658 0.5073 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.001 0.0058
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0026 0.0244
Loa Loa (eye worm) hypothetical protein 0.0025 0.0026 0.0244
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0017 0.0003 0.0025
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0059 0.0082
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0042 0.008 0.0737
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0025 0.0026 0.0052
Entamoeba histolytica hypothetical protein 0.0036 0.0059 0.2045
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0029
Loa Loa (eye worm) steroid hormone receptor 0.0017 0.0003 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0017 0.0003 0.0004
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0038 0.0067 0.0238
Brugia malayi Steroid receptor seven-up type 2 0.0017 0.0003 0.0004
Echinococcus granulosus excitatory amino acid transporter 2 0.0368 0.1086 0.5269
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0022 0.003
Brugia malayi nuclear hormone receptor 0.0017 0.0003 0.0004
Schistosoma mansoni hypothetical protein 0.0036 0.0059 0.0548
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0017 0.0003 0.0004
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0042 0.008 0.0158
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0029
Echinococcus multilocularis neutral amino acid transporter A 0.0368 0.1086 0.2141
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0078 0.038
Echinococcus granulosus hypothetical protein 0.0683 0.2062 1
Brugia malayi CHE-14 protein 0.0042 0.0078 0.0108
Echinococcus multilocularis serotonin transporter 0.0148 0.0407 0.0802
Echinococcus granulosus neutral amino acid transporter A 0.0368 0.1086 0.5269
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0078 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0251 0.231
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0026 0.0128
Entamoeba histolytica hypothetical protein 0.0036 0.0059 0.2045
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0038 0.0067 0.0238
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0026 0.0244
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0017 0.0003 0.0004
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0025 0.0026 0.0036
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0026 0.0244
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0025 0.0026 0.0052
Entamoeba histolytica hypothetical protein 0.0036 0.0059 0.2045
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0025
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0042 0.008 0.6247
Onchocerca volvulus 0.0025 0.0026 0.0024
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0603 0.1814 1
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.0038 0.0067 0.0213
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0042 0.008 0.0286
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0022 0.0043
Brugia malayi amine oxidase, flavin-containing family protein 0.0042 0.008 0.011
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0111 0.0153
Schistosoma mansoni sodium-dependent amino acid transporter 0.0025 0.0026 0.0244
Schistosoma mansoni retinoic acid receptor RXR 0.0017 0.0003 0.0025
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0163 0.0453 0.0893
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0017 0.0003 0.0005
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0017 0.0003 0.0004
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0025 0.0026 0.0128
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0003 0.0025
Mycobacterium ulcerans oxidoreductase 0.0042 0.008 0.0425
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0017 0.0003 0.0025
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0026 0.0128
Schistosoma mansoni amine oxidase 0.0042 0.008 0.0737
Echinococcus multilocularis expressed conserved protein 0.0092 0.0233 0.0459
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0163 0.0453 0.417
Mycobacterium tuberculosis Probable 5'-3' exonuclease 0.0038 0.0067 0.0398
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0025 0.0026 0.0128
Brugia malayi steroid hormone receptor 0.0017 0.0003 0.0004
Echinococcus multilocularis thyroid hormone receptor alpha 0.0017 0.0003 0.0005
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0026 0.0244
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0017 0.0003 0.0025
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0003 0.0004
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0368 0.1086 0.1084
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0003 0.0004
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0059 0.0287
Onchocerca volvulus 0.0042 0.008 0.0077
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0888 0.2694 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0026 0.0244
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0025
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0026 0.0036
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0026 0.0074
Loa Loa (eye worm) solute carrier family 6 member 4 0.0148 0.0407 0.3744
Plasmodium vivax amine transporter, putative 0.0025 0.0026 0.0087
Echinococcus multilocularis neutral amino acid transporter A 0.0368 0.1086 0.2141
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0022 0.0043
Brugia malayi hypothetical protein 0.0042 0.008 0.011
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0017 0.0003 0.0025
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0148 0.0407 0.3744
Toxoplasma gondii exonuclease III APE 0.002 0.001 0.0012
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0025
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0026 0.0244
Toxoplasma gondii histone lysine-specific demethylase 0.0042 0.008 0.0273
Brugia malayi nuclear receptor NHR-88 0.0017 0.0003 0.0004
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0251 0.1217
Echinococcus multilocularis Excitatory amino acid transporter 0.0368 0.1086 0.2141
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0003 0.0018
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0368 0.1086 0.2141
Schistosoma mansoni ap endonuclease 0.002 0.001 0.0091
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0017 0.0003 0.0013
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0003 0.0025
Plasmodium falciparum amino acid transporter, putative 0.0025 0.0026 0.0087
Loa Loa (eye worm) hypothetical protein 0.0042 0.008 0.0737
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0368 0.1086 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0017 0.0003 0.0025
Schistosoma mansoni patched 1 0.0042 0.0078 0.0722
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0026 0.0128
Brugia malayi SWIRM domain containing protein 0.0042 0.008 0.011
Loa Loa (eye worm) hypothetical protein 0.0025 0.0026 0.0244
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0548
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0042 0.008 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0017 0.0003 0.0004
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0078 0.0155
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0163 0.0453 0.0893
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0003 0.0013
Loa Loa (eye worm) hypothetical protein 0.0042 0.008 0.0737
Treponema pallidum sodium- and chloride- dependent transporter 0.0148 0.0407 0.8957
Toxoplasma gondii hypothetical protein 0.0025 0.0026 0.0074
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0026 0.0244
Loa Loa (eye worm) hypothetical protein 0.0025 0.0026 0.0244
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0026 0.0052
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0026 0.0244
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0025
Echinococcus granulosus excitatory amino acid transporter 3 0.0368 0.1086 0.5269
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0003 0.0005
Trypanosoma cruzi UDP-galactopyranose mutase 0.0042 0.008 0.0262
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0017 0.0003 0.0005
Echinococcus multilocularis protein patched 0.0042 0.0078 0.0155
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0017 0.0003 0.0025
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0026 0.0087
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.0038 0.0067 0.0213
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0022 0.0483
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0022 0.0043
Echinococcus multilocularis neutral amino acid transporter A 0.0368 0.1086 0.2141
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0561 0.1682 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0022 0.0102
Loa Loa (eye worm) hypothetical protein 0.0042 0.008 0.0737
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0042 0.008 0.0425
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0026 0.0244
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0017 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0042 0.008 0.0737
Loa Loa (eye worm) hypothetical protein 0.0017 0.0003 0.0025
Echinococcus multilocularis excitatory amino acid transporter 2 0.0368 0.1086 0.2141
Treponema pallidum glutamate transporter 0.0163 0.0453 1
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0368 0.1086 0.6457
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0368 0.1086 0.2141
Leishmania major UDP-galactopyranose mutase 0.0042 0.008 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0017 0.0003 0.0004
Schistosoma mansoni hypothetical protein 0.004 0.0074 0.0679
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0888 0.2694 1
Giardia lamblia Telomerase catalytic subunit 0.0888 0.2694 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 15 uM Inhibition of human prostate cancer cell line PC-3 growth ChEMBL. 11965367
IC50 (functional) = 15 uM Inhibition of human prostate cancer cell line PC-3 growth ChEMBL. 11965367
IC50 (functional) = 19 uM Inhibition of human breast cancer cell line MDA-MB-231 growth ChEMBL. 11965367
IC50 (functional) = 19 uM Inhibition of human breast cancer cell line MDA-MB-231 growth ChEMBL. 11965367

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11965367

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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