Detailed information for compound 1461595

Basic information

Technical information
  • TDR Targets ID: 1461595
  • Name: 3-[1-[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexa n-2-yl]triazol-4-yl]propanoic acid
  • MW: 338.405 | Formula: C15H26N6O3
  • H donors: 3 H acceptors: 5 LogP: -3.66 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCC[C@@H](C(=O)N1CCNCC1)n1nnc(c1)CCC(=O)O
  • InChi: 1S/C15H26N6O3/c16-6-2-1-3-13(15(24)20-9-7-17-8-10-20)21-11-12(18-19-21)4-5-14(22)23/h11,13,17H,1-10,16H2,(H,22,23)/t13-/m0/s1
  • InChiKey: JHBOCDVQCYXJHA-ZDUSSCGKSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[1-[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]triazol-4-yl]propanoic acid
  • 3-[1-[(1S)-5-amino-1-[oxo-(1-piperazinyl)methyl]pentyl]-4-triazolyl]propanoic acid
  • 3-[1-[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]triazol-4-yl]propionic acid
  • 3-[1-[(2S)-6-amino-1-oxo-1-piperazin-1-yl-hexan-2-yl]-1,2,3-triazol-4-yl]propanoic acid

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
Loa Loa (eye worm) trehalase 0.0143 0.0193 0.0193
Trichomonas vaginalis alpha-glucosidase, putative 0.0652 0.229 0.5168
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0303 0.0852 0.0852
Brugia malayi Alpha-L-fucosidase family protein 0.1018 0.38 0.38
Loa Loa (eye worm) hypothetical protein 0.0412 0.1303 0.1303
Brugia malayi hypothetical protein 0.0412 0.1303 0.1303
Trichomonas vaginalis set domain proteins, putative 0.027 0.0715 0.1311
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0322 0.0932 0.407
Brugia malayi Trehalase protein 5 0.0143 0.0193 0.0193
Trichomonas vaginalis maltase-glucoamylase, putative 0.0322 0.0932 0.1841
Trichomonas vaginalis sucrase-isomaltase, putative 0.0622 0.2166 0.4865
Schistosoma mansoni alpha-amylase 0.0167 0.0293 0.0334
Trichomonas vaginalis beta-glucosidase, putative 0.113 0.4261 1
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0563 0.1926 0.1926
Trichomonas vaginalis beta-mannosidase, putative 0.0218 0.0504 0.0792
Trichomonas vaginalis alpha-glucosidase, putative 0.0322 0.0932 0.1841
Echinococcus multilocularis lysosomal alpha glucosidase 0.2523 1 1
Echinococcus granulosus beta galactosidase 0.0901 0.3317 0.3317
Loa Loa (eye worm) hypothetical protein 0.0412 0.1303 0.1303
Loa Loa (eye worm) hypothetical protein 0.0901 0.3317 0.3317
Trichomonas vaginalis conserved hypothetical protein 0.0412 0.1303 0.2751
Echinococcus granulosus glycogen phosphorylase 0.0726 0.2597 0.2597
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0423 0.0594
Trichomonas vaginalis alpha-glucosidase, putative 0.0322 0.0932 0.1841
Onchocerca volvulus 0.0412 0.1303 0.1609
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0207 0.0458 0.0458
Schistosoma mansoni beta-mannosidase 0.0218 0.0504 0.0575
Trichomonas vaginalis trehalase, putative 0.0412 0.1303 0.2751
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0314 0.0898 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0563 0.1926 0.4276
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0417 0.1323 0.1509
Brugia malayi Pre-SET motif family protein 0.0237 0.058 0.058
Echinococcus multilocularis thyroid hormone receptor alpha 0.0136 0.0165 0.0165
Echinococcus granulosus alpha glucosidase 0.0167 0.0293 0.0293
Schistosoma mansoni alpha glucosidase 0.0652 0.229 0.2612
Echinococcus multilocularis glycogen debranching enzyme 0.0563 0.1926 0.1926
Entamoeba histolytica glycogen phosphorylase, putative 0.0726 0.2597 1
Schistosoma mansoni bile acid beta-glucosidase-related 0.0244 0.061 0.0696
Echinococcus multilocularis beta galactosidase 0.0901 0.3317 0.3317
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0652 0.229 0.229
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0322 0.0932 0.1841
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0852 0.1646
Loa Loa (eye worm) hypothetical protein 0.0412 0.1303 0.1303
Schistosoma mansoni hypothetical protein 0.034 0.1005 0.1146
Loa Loa (eye worm) hypothetical protein 0.0901 0.3317 0.3317
Onchocerca volvulus 0.0412 0.1303 0.1609
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0314 0.0898 0.1206
Loa Loa (eye worm) hypothetical protein 0.0143 0.0193 0.0193
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0852 0.1646
Loa Loa (eye worm) hypothetical protein 0.0143 0.0193 0.0193
Echinococcus multilocularis snurportin 1 0.034 0.1005 0.1005
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0852 0.1646
Brugia malayi Trehalase family protein 0.0143 0.0193 0.0193
Onchocerca volvulus 0.0412 0.1303 0.1609
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0417 0.1323 0.1509
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0417 0.1323 0.1323
Entamoeba histolytica glycogenphosphorylase, putative 0.0314 0.0898 0.2628
Trichomonas vaginalis glycogen phosphorylase, putative 0.0726 0.2597 0.5922
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.1386 0.5317 0.5317
Echinococcus granulosus fucosidase alpha L 1 tissue 0.1386 0.5317 0.5317
Echinococcus multilocularis Glycosyl transferase, family 35 0.0726 0.2597 0.2597
Echinococcus granulosus glycogen debranching enzyme 0.0563 0.1926 0.1926
Brugia malayi hypothetical protein 0.0143 0.0193 0.0193
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0275 0.0739 0.5
Brugia malayi manba-prov protein 0.0439 0.1415 0.1415
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0417 0.1323 0.1323
Loa Loa (eye worm) trehalase 0.0143 0.0193 0.0193
Schistosoma mansoni hypothetical protein 0.0187 0.0375 0.0428
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0652 0.229 0.5168
Brugia malayi Glycosyl hydrolases family 31 protein 0.0322 0.0932 0.0932
Echinococcus multilocularis alpha glucosidase 0.0167 0.0293 0.0293
Loa Loa (eye worm) trehalase 0.0412 0.1303 0.1303
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0423 0.0594
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0652 0.229 1
Echinococcus granulosus non lysosomal glucosylceramidase 0.0244 0.061 0.061
Treponema pallidum hypothetical protein 0.0143 0.0193 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0641 0.2246 0.5061
Trypanosoma brucei inosine-adenosine-guanosine-nucleosidehydrolase 0.047 0.1539 0.672
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0447 0.1445 0.3098
Trypanosoma cruzi hypothetical protein, conserved 0.0652 0.229 1
Trichomonas vaginalis glycoside hydrolase, putative 0.0749 0.2691 0.6151
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.0124 0.0124
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0423 0.0594
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0417 0.1323 0.1509
Loa Loa (eye worm) alpha-L-fucosidase 0.1018 0.38 0.38
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.2523 1 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.0283 0.0283
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0852 0.1646
Schistosoma mansoni alpha-glucosidase 0.2223 0.8766 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.058 0.058
Schistosoma mansoni alpha-amylase 0.0167 0.0293 0.0334
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0167 0.0293 0.0293
Brugia malayi Trehalase family protein 0.0412 0.1303 0.1303
Loa Loa (eye worm) hypothetical protein 0.0339 0.1002 0.1002
Loa Loa (eye worm) hypothetical protein 0.0322 0.0932 0.0932
Entamoeba histolytica glycogen phosphorylase, putative 0.0726 0.2597 1
Brugia malayi hypothetical protein 0.0143 0.0193 0.0193
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0652 0.229 0.5168
Schistosoma mansoni hypothetical protein 0.0407 0.1281 0.1461
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0423 0.0594
Entamoeba histolytica glycogen phosphorylase, putative 0.0314 0.0898 0.2628
Schistosoma mansoni thyroid hormone receptor 0.0136 0.0165 0.0188
Brugia malayi Glycosyl hydrolases family 31 protein 0.0652 0.229 0.229
Entamoeba histolytica beta-galactosidase, putative 0.0362 0.1094 0.3476
Echinococcus multilocularis geminin 0.0187 0.0375 0.0375
Schistosoma mansoni alpha-glucosidase 0.2223 0.8766 1
Brugia malayi Beta-glucuronidase precursor 0.028 0.0756 0.0756
Schistosoma mansoni beta-galactosidase 0.0901 0.3317 0.3784
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0274 0.0734 0.0734
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0167 0.0293 0.0293
Schistosoma mansoni alpha-amylase 0.0167 0.0293 0.0334
Schistosoma mansoni hypothetical protein 0.0724 0.2589 0.2953
Onchocerca volvulus Glycogen phosphorylase homolog 0.0726 0.2597 0.3207
Loa Loa (eye worm) beta-glucuronidase 0.028 0.0756 0.0756
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0303 0.0852 0.0852
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0417 0.1323 0.1509
Echinococcus granulosus glycogen phosphorylase 0.0726 0.2597 0.2597
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0339 0.1002 0.1143
Trichomonas vaginalis beta-galactosidase, putative 0.0641 0.2246 0.5061
Trichomonas vaginalis alpha-glucosidase, putative 0.0322 0.0932 0.1841
Trichomonas vaginalis glucosylceramidase, putative 0.0209 0.0467 0.0703
Trichomonas vaginalis conserved hypothetical protein 0.0289 0.0795 0.1507
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0339 0.1002 0.2014
Trypanosoma cruzi hypothetical protein, conserved 0.0652 0.229 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0652 0.229 0.5168
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0322 0.0932 0.407
Schistosoma mansoni glycogen phosphorylase 0.0726 0.2597 0.2963
Schistosoma mansoni hypothetical protein 0.0187 0.0375 0.0428
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0339 0.1002 0.1143
Schistosoma mansoni glycogen phosphorylase 0.0726 0.2597 0.2963
Schistosoma mansoni alpha-amylase 0.0167 0.0293 0.0334
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0167 0.0293 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.034 0.1005 0.1005
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0563 0.1926 0.4276
Echinococcus granulosus Glycosyl transferase family 35 0.0726 0.2597 0.2597
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0423 0.0594
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0207 0.0458 0.0679
Brugia malayi hypothetical protein 0.0143 0.0193 0.0193
Trypanosoma brucei glycosyl hydrolase-like protein 0.0322 0.0932 0.407
Loa Loa (eye worm) hypothetical protein 0.0412 0.1303 0.1303
Echinococcus granulosus lysosomal alpha glucosidase 0.2523 1 1
Schistosoma mansoni alpha-l-fucosidase 0.1018 0.38 0.4335
Brugia malayi Trehalase family protein 0.0412 0.1303 0.1303
Schistosoma mansoni alpha-amylase 0.0167 0.0293 0.0334
Echinococcus multilocularis beta mannosidase 0.016 0.0262 0.0262
Trypanosoma cruzi inosine-adenosine-guanosine-nucleosidehydrolase, putative 0.047 0.1539 0.672
Trichomonas vaginalis alpha-glucosidase, putative 0.0322 0.0932 0.1841
Trichomonas vaginalis alpha-mannosidase, putative 0.0207 0.0458 0.0679
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0322 0.0932 0.1841
Trichomonas vaginalis alpha-glucosidase, putative 0.0652 0.229 0.5168
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0652 0.229 0.8665
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0563 0.1926 0.6236
Trypanosoma cruzi inosine-adenosine-guanosine-nucleosidehydrolase, putative 0.047 0.1539 0.672
Brugia malayi carbohydrate phosphorylase 0.0726 0.2597 0.2597
Trichomonas vaginalis alpha-glucosidase, putative 0.0652 0.229 0.5168
Mycobacterium ulcerans alpha-mannosidase 0.0207 0.0458 0.0329
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0146 0.0205 0.0059
Mycobacterium ulcerans alpha-L-fucosidase 0.1386 0.5317 1
Schistosoma mansoni hypothetical protein 0.0126 0.0124 0.0141
Echinococcus granulosus bile acid beta glucosidase 0.0244 0.061 0.061
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0322 0.0932 0.2774
Onchocerca volvulus 0.2061 0.8099 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.0124 0.0124
Entamoeba histolytica glycogen phosphorylase, putative 0.0314 0.0898 0.2628
Loa Loa (eye worm) alpha amylase 0.0167 0.0293 0.0293
Onchocerca volvulus 0.0412 0.1303 0.1609
Loa Loa (eye worm) hypothetical protein 0.0563 0.1926 0.1926
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0244 0.061 0.061
Loa Loa (eye worm) hypothetical protein 0.027 0.0715 0.0715
Loa Loa (eye worm) alpha amylase 0.0167 0.0293 0.0293
Brugia malayi Trehalase family protein 0.0143 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0143 0.0193 0.0193
Brugia malayi hypothetical protein 0.0126 0.0125 0.0125
Brugia malayi Melibiase family protein 0.0339 0.1002 0.1002
Onchocerca volvulus Trehalase homolog 0.0412 0.1303 0.1609
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0266 0.0702 0.0702
Chlamydia trachomatis glycogen phosphorylase 0.0726 0.2597 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0209 0.0467 0.0703
Onchocerca volvulus 0.027 0.0715 0.0883
Trichomonas vaginalis maltase-glucoamylase, putative 0.0652 0.229 0.5168
Plasmodium vivax hypothetical protein, conserved 0.0275 0.0739 0.5
Brugia malayi Trehalase family protein 0.0412 0.1303 0.1303
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0417 0.1323 0.1323
Loa Loa (eye worm) TRE-2 protein 0.0412 0.1303 0.1303
Brugia malayi follicle stimulating hormone receptor 0.0266 0.0702 0.0702
Echinococcus granulosus snurportin 1 0.034 0.1005 0.1005
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0322 0.0932 0.1151
Loa Loa (eye worm) trehalase 0.0412 0.1303 0.1303
Giardia lamblia Glycogen phosphorylase 0.0726 0.2597 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0652 0.229 0.229
Trichomonas vaginalis alpha-glucosidase, putative 0.0322 0.0932 0.1841
Schistosoma mansoni hypothetical protein 0.0411 0.1297 0.148
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0423 0.0594
Echinococcus multilocularis glycogen phosphorylase 0.0726 0.2597 0.2597
Loa Loa (eye worm) manba-prov protein 0.016 0.0262 0.0262
Echinococcus multilocularis lysosomal alpha glucosidase 0.2523 1 1
Brugia malayi Trehalase family protein 0.0412 0.1303 0.1303
Trichomonas vaginalis alpha-glucosidase, putative 0.0652 0.229 0.5168
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0852 0.1646
Brugia malayi Glycosyl hydrolases family 38 protein 0.0207 0.0458 0.0458
Onchocerca volvulus 0.0412 0.1303 0.1609
Loa Loa (eye worm) hypothetical protein 0.0143 0.0193 0.0193
Trichomonas vaginalis glycogen phosphorylase, putative 0.0726 0.2597 0.5922
Schistosoma mansoni thyroid hormone receptor 0.0136 0.0165 0.0188
Echinococcus granulosus neutral alpha glucosidase AB 0.0652 0.229 0.229
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0303 0.0852 0.0852
Schistosoma mansoni glycogen phosphorylase 0.0314 0.0898 0.1025
Schistosoma mansoni bile acid beta-glucosidase-related 0.0244 0.061 0.0696
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0423 0.0594
Loa Loa (eye worm) hypothetical protein 0.0412 0.1303 0.1303
Onchocerca volvulus Glucosylceramidase homolog 0.0199 0.0423 0.0522
Trichomonas vaginalis glycoside hydrolases, putative 0.113 0.4261 1
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0852 0.1646
Leishmania major alpha glucosidase II subunit, putative 0.0652 0.229 1
Echinococcus multilocularis bile acid beta glucosidase 0.0244 0.061 0.061
Brugia malayi trehalase 0.0143 0.0193 0.0193
Brugia malayi trehalase I 0.0143 0.0193 0.0193
Entamoeba histolytica glycogen debranching enzyme, putative 0.0563 0.1926 0.7086
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0303 0.0852 0.0852
Trypanosoma brucei glucosidase, putative 0.0652 0.229 1
Echinococcus granulosus beta mannosidase 0.016 0.0262 0.0262
Leishmania major inosine-adenosine-guanosine-nucleoside hydrolase, putative 0.047 0.1539 0.447
Echinococcus multilocularis glycogen phosphorylase 0.0726 0.2597 0.2597
Loa Loa (eye worm) TRE-1 protein 0.0412 0.1303 0.1303
Loa Loa (eye worm) trehalase 0.0412 0.1303 0.1303
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0622 0.2166 0.8128
Echinococcus granulosus geminin 0.0187 0.0375 0.0375
Loa Loa (eye worm) glycogen phosphorylase 0.0726 0.2597 0.2597
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0447 0.1445 0.3098

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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