Detailed information for compound 2071555

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 258.276 | Formula: C13H14N4O2
  • H donors: 1 H acceptors: 3 LogP: 0.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1nnc2c(c1)CN(CC2)C(=O)c1cocc1
  • InChi: 1S/C13H14N4O2/c1-14-12-6-10-7-17(4-2-11(10)15-16-12)13(18)9-3-5-19-8-9/h3,5-6,8H,2,4,7H2,1H3,(H,14,16)
  • InChiKey: YGLLAINVOHZJOK-UHFFFAOYSA-N  

Network

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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
Chlamydia trachomatis neutral amino acid transporter 0.0092 0.1613 0.4046
Echinococcus granulosus voltage dependent calcium channel 0.0021 0.0144 0.0184
Schistosoma mansoni integrin alpha 0.0031 0.0355 0.0575
Schistosoma mansoni hypothetical protein 0.0019 0.0109 0.0177
Plasmodium falciparum amino acid transporter, putative 0.0014 0 0.5
Echinococcus multilocularis integrin alpha ps 0.0015 0.0026 0.0033
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.003 0.0345 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0076 0.0076
Brugia malayi EGF-like domain containing protein 0.0017 0.0076 0.0076
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0059 0.093 0.1507
Echinococcus granulosus Excitatory amino acid transporter 0.0209 0.3986 0.5088
Brugia malayi hypothetical protein 0.007 0.1155 0.1155
Echinococcus granulosus integrin alpha ps 0.0015 0.0026 0.0033
Brugia malayi hypothetical protein 0.0081 0.1387 0.1387
Toxoplasma gondii hypothetical protein 0.0018 0.0093 0.1469
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0045 0.0634 0.0809
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0015 0.0026 0.0026
Brugia malayi Calcitonin receptor-like protein seb-1 0.0023 0.0196 0.0196
Echinococcus granulosus geminin 0.0079 0.1328 0.1696
Loa Loa (eye worm) hypothetical protein 0.0016 0.0046 0.0046
Echinococcus granulosus sterol regulatory element binding protein 0.002 0.0124 0.0158
Loa Loa (eye worm) hypothetical protein 0.0021 0.0144 0.0144
Echinococcus granulosus excitatory amino acid transporter 2 0.0209 0.3986 0.5088
Loa Loa (eye worm) hypothetical protein 0.0018 0.0093 0.0093
Schistosoma mansoni hypothetical protein 0.0079 0.1328 0.2153
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0017 0.0064 0.0082
Brugia malayi gamma-secretase subunit aph-1 0.0184 0.3489 0.3489
Echinococcus multilocularis fibrillin 2 0.0017 0.0076 0.0098
Brugia malayi Integrin alpha pat-2 precursor 0.0031 0.0355 0.0355
Echinococcus granulosus expressed conserved protein 0.0043 0.0599 0.0765
Trypanosoma cruzi Aph-1 protein, putative 0.0072 0.1191 1
Echinococcus multilocularis integrin alpha 3 0.0015 0.0026 0.0033
Echinococcus multilocularis excitatory amino acid transporter 2 0.0209 0.3986 0.5088
Brugia malayi latrophilin 2 splice variant baaae 0.0016 0.0046 0.0046
Brugia malayi Excitatory amino acid transporter 0.0209 0.3986 0.3986
Mycobacterium ulcerans aldehyde dehydrogenase 0.003 0.0345 0.5
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0081 0.1387 0.1387
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0209 0.3986 0.5088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0024 0.0215 0.0275
Echinococcus multilocularis neutral amino acid transporter A 0.0209 0.3986 0.5088
Giardia lamblia Tenascin-37 0.0017 0.0076 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0046 0.0075
Toxoplasma gondii aldehyde dehydrogenase 0.003 0.0345 0.5445
Loa Loa (eye worm) transcription factor SMAD2 0.0055 0.0854 0.0854
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0059 0.093 0.1187
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0048 0.0706 0.09
Giardia lamblia High cysteine protein 0.0017 0.0076 0.5
Treponema pallidum glutamate transporter 0.0092 0.1613 1
Echinococcus multilocularis integrin alpha ps 0.0031 0.0355 0.0453
Loa Loa (eye worm) hypothetical protein 0.0018 0.0093 0.0093
Echinococcus granulosus fibrillin 1 0.0017 0.0076 0.0098
Echinococcus granulosus excitatory amino acid transporter 2 0.0209 0.3986 0.5088
Onchocerca volvulus 0.007 0.1155 0.2897
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0092 0.1613 0.2059
Schistosoma mansoni voltage-gated cation channel 0.0059 0.093 0.1507
Schistosoma mansoni jumonji domain containing protein 0.0035 0.0442 0.0716
Loa Loa (eye worm) hypothetical protein 0.0023 0.0197 0.0197
Schistosoma mansoni hypothetical protein 0.0019 0.0109 0.0177
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0044 0.0628 0.0801
Loa Loa (eye worm) hypothetical protein 0.005 0.0736 0.0736
Echinococcus granulosus adam 0.0017 0.0076 0.0098
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.003 0.0345 0.044
Onchocerca volvulus 0.0017 0.0076 0.0192
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.1427 1
Echinococcus multilocularis expressed conserved protein 0.0043 0.0599 0.0765
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0052
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0046 0.067 0.1086
Echinococcus multilocularis gamma secretase subunit aph 1 0.0184 0.3489 0.4453
Loa Loa (eye worm) hypothetical protein 0.0023 0.0196 0.0196
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0059 0.093 0.1507
Giardia lamblia Neurogenic locus notch-like protein 0.0017 0.0076 0.5
Schistosoma mansoni hypothetical protein 0.0079 0.1328 0.2153
Plasmodium vivax hypothetical protein, conserved 0.0014 0 0.5
Schistosoma mansoni integrin alpha-ps 0.0016 0.0052 0.0085
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0736 0.1193
Brugia malayi EGF-like domain containing protein 0.0017 0.0076 0.0076
Echinococcus multilocularis neutral amino acid transporter A 0.0209 0.3986 0.5088
Toxoplasma gondii MAPEG family protein 0.0045 0.0634 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.005 0.0736 0.0736
Giardia lamblia High cysteine protein 0.0017 0.0076 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.003 0.0345 0.044
Schistosoma mansoni jumonji/arid domain-containing protein 0.0016 0.0058 0.0094
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0024 0.0215 0.0275
Echinococcus granulosus jumonji domain containing protein 0.0019 0.0108 0.0138
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0024 0.0215 0.0349
Echinococcus multilocularis Niemann Pick C1 protein 0.0046 0.0656 0.0837
Loa Loa (eye worm) hypothetical protein 0.0048 0.0706 0.0706
Echinococcus multilocularis serotonin transporter 0.005 0.0736 0.094
Brugia malayi jmjC domain containing protein 0.0044 0.0628 0.0628
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0046 0.0656 1
Echinococcus multilocularis voltage dependent calcium channel 0.0059 0.093 0.1187
Schistosoma mansoni hypothetical protein 0.0019 0.0109 0.0177
Loa Loa (eye worm) hypothetical protein 0.0017 0.0076 0.0076
Echinococcus multilocularis adam 0.0017 0.0076 0.0098
Giardia lamblia hypothetical protein 0.0017 0.0076 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0209 0.3986 0.5088
Echinococcus granulosus neutral amino acid transporter A 0.0209 0.3986 0.5088
Loa Loa (eye worm) hypothetical protein 0.005 0.0736 0.0736
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0024 0.0215 0.0215
Loa Loa (eye worm) integrin alpha pat-2 0.0031 0.0355 0.0355
Echinococcus granulosus serotonin transporter 0.005 0.0736 0.094
Echinococcus multilocularis Excitatory amino acid transporter 0.0209 0.3986 0.5088
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0059 0.093 0.1187
Loa Loa (eye worm) norepinephrine transporter 0.005 0.0736 0.0736
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0736 0.0736
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0294 0.0294
Echinococcus granulosus integrin alpha ps 0.0031 0.0355 0.0453
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0052
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0209 0.3986 1
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.1427 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1387 0.1387
Mycobacterium ulcerans aldehyde dehydrogenase 0.003 0.0345 0.5
Brugia malayi jmjC domain containing protein 0.0016 0.0058 0.0058
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0092 0.1613 0.2614
Echinococcus multilocularis voltage dependent calcium channel 0.0059 0.093 0.1187
Giardia lamblia Neurogenic locus Notch protein precursor 0.0017 0.0076 0.5
Schistosoma mansoni gamma-secretase subunit aph-1 0.0184 0.3489 0.5653
Loa Loa (eye worm) excitatory amino acid transporter 0.0209 0.3986 0.3986
Trypanosoma cruzi Aph-1 protein, putative 0.0072 0.1191 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0736 0.1193
Echinococcus multilocularis Niemann Pick C1 protein 0.0065 0.1056 0.1348
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0024 0.0215 0.0275
Echinococcus multilocularis integrin alpha ps 0.0031 0.0355 0.0453
Giardia lamblia Tenascin-like 0.0017 0.0076 0.5
Echinococcus multilocularis excitatory amino acid transporter 2 0.0209 0.3986 0.5088
Brugia malayi Niemann-Pick C1 protein precursor 0.0046 0.0656 0.0656
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0124 0.035
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.0706 0.1143
Echinococcus granulosus integrin alpha 3 0.0015 0.0026 0.0033
Echinococcus granulosus neutral amino acid transporter A 0.0209 0.3986 0.5088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0376 0.7404 0.945
Loa Loa (eye worm) hypothetical protein 0.007 0.1155 0.1155
Echinococcus multilocularis protein patched 0.002 0.0124 0.0158
Echinococcus multilocularis integrin beta 2 0.0397 0.7835 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.0706 0.1143
Loa Loa (eye worm) hypothetical protein 0.0015 0.0026 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.1427 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0024 0.0215 0.0275
Echinococcus granulosus Niemann Pick C1 protein 0.0065 0.1056 0.1348
Schistosoma mansoni hypothetical protein 0.0015 0.0026 0.0042
Echinococcus granulosus integrin beta 2 0.0397 0.7835 1
Onchocerca volvulus 0.005 0.0736 0.1847
Brugia malayi MH2 domain containing protein 0.0055 0.0854 0.0854
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0059 0.093 0.1187
Treponema pallidum glutamate/aspartate transporter 0.0092 0.1613 1
Schistosoma mansoni integrin alpha-4 0.0132 0.2423 0.3927
Echinococcus multilocularis fibrillin 1 0.0017 0.0076 0.0098
Mycobacterium ulcerans aldehyde dehydrogenase 0.003 0.0345 0.5
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0059 0.093 0.1187
Brugia malayi CHE-14 protein 0.002 0.0124 0.0124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0024 0.0215 0.0349
Brugia malayi EGF-like domain containing protein 0.0017 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.0656
Loa Loa (eye worm) hypothetical protein 0.0017 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0048 0.0706 0.0706
Echinococcus multilocularis sterol regulatory element binding protein 0.002 0.0124 0.0158
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0024 0.0215 0.0349
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0058 0.0058
Schistosoma mansoni patched 1 0.002 0.0124 0.02
Schistosoma mansoni integrin beta subunit 0.0316 0.6171 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0214 0.0214
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0024 0.0215 0.0215
Giardia lamblia Tenascin precursor 0.0017 0.0076 0.5
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0194 0.3694 0.5986
Loa Loa (eye worm) hypothetical protein 0.002 0.0124 0.0124
Loa Loa (eye worm) calcium channel 0.0059 0.093 0.093
Schistosoma mansoni hypothetical protein 0.0019 0.0109 0.0177
Echinococcus granulosus lysine specific demethylase 5A 0.0016 0.0058 0.0074
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0209 0.3986 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0017 0.0064 0.0082
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0209 0.3986 1
Brugia malayi Kelch motif family protein 0.0081 0.1387 0.1387
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0059 0.093 0.1187
Echinococcus granulosus excitatory amino acid transporter 3 0.0209 0.3986 0.5088
Echinococcus granulosus Protein patched homolog 1 0.002 0.0124 0.0158
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0092 0.1613 0.2059
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0048 0.0706 0.09
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0092 0.1613 0.2614
Echinococcus granulosus gamma secretase subunit aph 1 0.0184 0.3489 0.4453
Plasmodium falciparum transporter, putative 0.0014 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0016 0.0058 0.0074
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.002 0.0124 0.0124
Echinococcus granulosus sodium:dicarboxylate symporter 0.0209 0.3986 0.5088
Echinococcus multilocularis Excitatory amino acid transporter 0.0209 0.3986 0.5088
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0209 0.3986 0.6459
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.0706 0.1143
Brugia malayi hypothetical protein 0.0017 0.0064 0.0064
Echinococcus multilocularis jumonji domain containing protein 0.0019 0.0108 0.0138
Echinococcus multilocularis geminin 0.0079 0.1328 0.1696
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.1427 1
Giardia lamblia Tenascin-X 0.0017 0.0076 0.5
Echinococcus granulosus neutral amino acid transporter 0.0209 0.3986 0.5088
Echinococcus granulosus Niemann Pick C1 protein 0.0046 0.0656 0.0837
Loa Loa (eye worm) voltage-dependent calcium channel 0.0021 0.0144 0.0144
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0044 0.0628 0.0801
Loa Loa (eye worm) hypothetical protein 0.0015 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0059 0.093 0.093
Echinococcus multilocularis protein jagged 2 0.0017 0.0076 0.0098
Toxoplasma gondii transporter, cation channel family protein 0.0021 0.0144 0.2269
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0209 0.3986 0.5088
Loa Loa (eye worm) serotonin transporter b 0.005 0.0736 0.0736
Schistosoma mansoni integrin alpha-ps 0.0031 0.0355 0.0575
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0023 0.0196 0.0196
Schistosoma mansoni aldehyde dehydrogenase 0.003 0.0345 0.0559
Echinococcus multilocularis excitatory amino acid transporter 3 0.0209 0.3986 0.5088
Trichomonas vaginalis hypothetical protein 0.0083 0.1427 1
Echinococcus granulosus voltage dependent calcium channel 0.0059 0.093 0.1187
Loa Loa (eye worm) hypothetical protein 0.0017 0.0076 0.0076
Loa Loa (eye worm) MH2 domain-containing protein 0.0055 0.0854 0.0854
Chlamydia trachomatis glutamate symporter 0.0209 0.3986 1
Echinococcus granulosus microsomal glutathione S transferase 3 0.0045 0.0634 0.0809
Echinococcus granulosus fibrillin 2 0.0017 0.0076 0.0098
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0059 0.093 0.093
Schistosoma mansoni microsomal glutathione s-transferase 0.0045 0.0634 0.1027
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.1427 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0059 0.093 0.1187
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0059 0.093 0.1187
Loa Loa (eye worm) integrin beta-2 0.0503 1 1
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0184 0.3489 0.3489
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.1427 1
Brugia malayi EGF-like domain containing protein 0.0017 0.0076 0.0076
Echinococcus multilocularis protein dispatched 1 0.0022 0.018 0.023
Trypanosoma brucei Aph-1 protein, putative 0.0072 0.1191 1
Toxoplasma gondii hypothetical protein 0.0017 0.0076 0.1207
Schistosoma mansoni jumonji/arid domain-containing protein 0.0016 0.0058 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.1427 1
Echinococcus granulosus Excitatory amino acid transporter 0.0209 0.3986 0.5088
Schistosoma mansoni transcription factor LCR-F1 0.0017 0.0064 0.0104
Plasmodium vivax amine transporter, putative 0.0014 0 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.0064 0.0104
Schistosoma mansoni aldehyde dehydrogenase 0.003 0.0345 0.0559
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0023 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.005 0.0736 0.0736

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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