Detailed information for compound 1427732

Basic information

Technical information
  • TDR Targets ID: 1427732
  • Name: 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl) ethanone
  • MW: 203.201 | Formula: C9H9N5O
  • H donors: 1 H acceptors: 4 LogP: 0.68 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)n1nc(nc1N)c1cccnc1
  • InChi: 1S/C9H9N5O/c1-6(15)14-9(10)12-8(13-14)7-3-2-4-11-5-7/h2-5H,1H3,(H2,10,12,13)
  • InChiKey: GHPZRDCUYCXDBR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]ethanone
  • ChemDiv3_006694
  • IDI1_024604
  • SDCCGMLS-0064357.P002
  • ZINC00610774
  • A3754/0159156
  • 1-acetyl-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
  • MLS000063967
  • SMR000076907

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0527 0.0527
Trichomonas vaginalis AGC family protein kinase 0.0137 0.2858 0.2858
Trichomonas vaginalis AGC family protein kinase 0.0137 0.2858 0.2858
Schistosoma mansoni serine/threonine protein kinase 0.0137 0.2858 0.3824
Brugia malayi Inositol-1 0.0045 0.0527 0.0316
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0137 0.2858 0.2699
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0134 0.2783 0.2783
Brugia malayi p70 ribosomal S6 kinase beta 0.0401 0.948 0.9468
Echinococcus granulosus serine threonine protein kinase nrc 0.0266 0.6102 0.9146
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0218 0.0329
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0794 0.0589
Echinococcus granulosus serine:threonine protein kinase N2 0.0137 0.2858 0.3824
Echinococcus multilocularis serine:threonine protein kinase N2 0.0137 0.2858 0.3824
Loa Loa (eye worm) inositol-1 0.0045 0.0527 0.0316
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0266 0.6102 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0137 0.2858 0.3824
Loa Loa (eye worm) AGC/PKN protein kinase 0.0137 0.2858 0.2699
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0137 0.2858 0.2699
Trichomonas vaginalis AGC family protein kinase 0.0421 1 1
Toxoplasma gondii AGC kinase 0.0401 0.948 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0266 0.6102 0.9214
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0527 1
Echinococcus multilocularis serine threonine protein kinase 0.0137 0.2858 0.3824
Echinococcus multilocularis nervana 2 0.0263 0.6027 0.9024
Echinococcus granulosus NDR protein kinase 0.0137 0.2858 0.3824
Loa Loa (eye worm) AGC/NDR protein kinase 0.0137 0.2858 0.2699
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0218 0.0329
Echinococcus granulosus Glutaredoxin protein 5 0.0263 0.6027 0.9024
Echinococcus granulosus Protein kinase C brain isozyme 0.0137 0.2858 0.3824
Schistosoma mansoni serine/threonine-protein kinase 0.0287 0.6622 1
Echinococcus granulosus protein kinase c iota type 0.0137 0.2858 0.3824
Echinococcus granulosus nervana 2 0.0263 0.6027 0.9024
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0137 0.2858 0.3824
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0409 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0137 0.2858 0.3824
Loa Loa (eye worm) AGC/AKT protein kinase 0.0421 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0287 0.6622 0.6622
Trichomonas vaginalis AGC family protein kinase 0.0421 1 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.2858 0.2699
Brugia malayi protein kinase C II. 0.0137 0.2858 0.2699
Entamoeba histolytica protein kinase, putative 0.0137 0.2858 0.2858
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0137 0.2858 0.3824
Schistosoma mansoni serine/threonine protein kinase 0.0137 0.2858 0.3824
Echinococcus multilocularis protein kinase c epsilon type 0.0137 0.2858 0.3824
Echinococcus granulosus serine/threonine protein kinase 0.0287 0.6622 1
Brugia malayi Protein kinase domain containing protein 0.0137 0.2858 0.2699
Trichomonas vaginalis AGC family protein kinase 0.0421 1 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0137 0.2858 0.3824
Echinococcus multilocularis serine:threonine protein kinase 38 0.0137 0.2858 0.3824
Schistosoma mansoni serine/threonine protein kinase 0.0137 0.2858 0.3824
Schistosoma mansoni serine/threonine protein kinase 0.0137 0.2858 0.3824
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0137 0.2858 0.2699
Echinococcus multilocularis Glutaredoxin protein 5 0.0263 0.6027 0.9024
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0527 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0137 0.2858 0.3824
Trypanosoma brucei cytochrome P450, putative 0.0032 0.0218 0.0218
Trichomonas vaginalis AGC family protein kinase 0.0421 1 1
Echinococcus multilocularis nervana 2 0.0263 0.6027 0.9024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0794 0.0439
Schistosoma mansoni serine/threonine-protein kinase 0.0287 0.6622 1
Entamoeba histolytica protein kinase 2, putative 0.0266 0.6102 0.6102
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0266 0.6102 0.9146
Echinococcus granulosus nervana 2 0.0263 0.6027 0.9024
Entamoeba histolytica protein kinase, putative 0.0401 0.948 0.948
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0527 0.0527
Brugia malayi Hr1 repeat family protein 0.0137 0.2858 0.2699
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0137 0.2858 0.3824
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0137 0.2858 0.3824
Echinococcus multilocularis protein kinase c iota type 0.0137 0.2858 0.3824
Echinococcus multilocularis rac serine:threonine kinase 0.0287 0.6622 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0527 0.0527
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0137 0.2858 0.3824
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0527 0.0527
Schistosoma mansoni serine/threonine kinase 0.0137 0.2858 0.3824
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0527 0.0795
Giardia lamblia Kinase, AGC PKA 0.0266 0.6102 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0527 0.0555
Trypanosoma cruzi Protein kinase B 0.0287 0.6622 1
Trichomonas vaginalis AGC family protein kinase 0.0421 1 1
Trichomonas vaginalis AGC family protein kinase 0.0158 0.3378 0.3378
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0794 0.0439
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0287 0.6622 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0137 0.2858 0.2699
Loa Loa (eye worm) cytochrome P450 family protein 0.0085 0.1531 0.1343
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0266 0.6102 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0266 0.6102 0.9146
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0527 0.0527
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0794 0.0439
Schistosoma mansoni atypical protein kinase C 0.0137 0.2858 0.3824
Schistosoma mansoni serine/threonine protein kinase 0.0137 0.2858 0.3824
Trichomonas vaginalis AGC family protein kinase 0.0421 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0794 0.0439
Echinococcus granulosus protein kinase C gamma type 0.0137 0.2858 0.3824
Entamoeba histolytica protein kinase, putative 0.0421 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0794 0.0439
Entamoeba histolytica protein kinase, putative 0.0421 1 1
Trichomonas vaginalis AGC family protein kinase 0.0421 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0527 0.0795
Entamoeba histolytica PH domain containing protein kinase, putative 0.0287 0.6622 0.6622
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0794 0.0439
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0527 1
Trichomonas vaginalis AGC family protein kinase 0.0137 0.2858 0.2858
Brugia malayi Protein kinase domain containing protein 0.0137 0.2858 0.2699
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0263 0.6027 0.9024
Brugia malayi Cytochrome P450 family protein 0.0085 0.1531 0.1343
Echinococcus granulosus protein kinase c epsilon type 0.0137 0.2858 0.3824
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0409 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0794 0.0439
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0401 0.948 0.9468
Trypanosoma brucei rac serine-threonine kinase, putative 0.0421 1 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0137 0.2858 0.3824
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0263 0.6027 0.9024
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0794 0.0589
Leishmania major cytochrome p450-like protein 0.0032 0.0218 0.4138

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0126 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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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