Detailed information for compound 276603

Basic information

Technical information
  • TDR Targets ID: 276603
  • Name: 3-(hydrazinylmethyl)phenol
  • MW: 138.167 | Formula: C7H10N2O
  • H donors: 3 H acceptors: 1 LogP: 0.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNCc1cccc(c1)O
  • InChi: 1S/C7H10N2O/c8-9-5-6-2-1-3-7(10)4-6/h1-4,9-10H,5,8H2
  • InChiKey: OFKWWALNMPEOSZ-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 3-(hydrazinomethyl)phenol
  • 3-hydroxybenzylhydrazine
  • 637-33-2
  • KBio2_003361
  • DivK1c_006881
  • KBioSS_000793
  • Spectrum3_000726
  • Spectrum_000313
  • KBio2_000793
  • nchembio.78-comp3
  • KBio2_005929
  • BSPBio_002252
  • SpecPlus_000785
  • Spectrum4_001209
  • KBioGR_001618
  • Lopac-H-9382
  • NCGC00015524-01
  • Spectrum5_001883
  • KBio3_001472
  • Lopac0_000597
  • KBio1_001825
  • BRN 1841459
  • HYDRAZINE, 1-(3-HYDROXYBENZYL)-
  • Nsd 1015
  • m-Hydroxybenzyl hydrazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references
Sus scrofa Gamma-amino-N-butyrate transaminase Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M1 Starlite/ChEMBL No references
Leishmania mexicana pyruvate kinase, putative Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) Get druggable targets OG5_129508 All targets in OG5_129508
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans L-lysine aminotransferase Get druggable targets OG5_129508 All targets in OG5_129508
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans one of two potential aminotransferase genes similar to S. cerevisiae UGA1 (YGR019W) gamma-aminobutyrate (GABA) transaminase Get druggable targets OG5_129508 All targets in OG5_129508
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor Get druggable targets OG5_129508 All targets in OG5_129508
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Schistosoma mansoni amine GPCR Muscarinic acetylcholine receptor M1   460 aa 463 aa 27.0 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Muscarinic acetylcholine receptor M1   460 aa 462 aa 23.4 %
Echinococcus multilocularis serotonin receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Echinococcus granulosus biogenic amine 5HT receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Loa Loa (eye worm) hypothetical protein Muscarinic acetylcholine receptor M1   460 aa 425 aa 22.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, putative 498 aa 515 aa 27.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0104 0.0104
Trypanosoma cruzi hypothetical protein, conserved 0.0218 0.2435 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0841 1 1
Echinococcus granulosus pyruvate kinase 0.0041 0.0289 0.0289
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0841 1 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0218 0.2435 0.2435
Echinococcus multilocularis RUN 0.0024 0.0076 0.0076
Echinococcus multilocularis pyruvate kinase 0.0081 0.0766 0.0766
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0024 0.0083 0.0078
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0841 1 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0081 0.0766 1
Leishmania major pyruvate kinase 0.0081 0.0766 0.1216
Loa Loa (eye worm) pyruvate kinase 0.0081 0.0766 0.0766
Echinococcus multilocularis pyruvate kinase 0.0041 0.0289 0.0289
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0076 0.0076
Schistosoma mansoni hypothetical protein 0.0024 0.0076 0.0076
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0841 1 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0104 0.0104
Mycobacterium ulcerans pyruvate kinase 0.0081 0.0766 0.2042
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0534 0.0435
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.0104 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0534 0.0435
Schistosoma mansoni polycystin 1-related 0.0024 0.0076 0.0076
Trypanosoma cruzi pyruvate kinase 2, putative 0.0081 0.0766 0.1216
Brugia malayi Pyruvate kinase, muscle isozyme 0.0081 0.0766 0.0761
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0076 0.0076
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0293 0.3343 1
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0218 0.2435 0.2435
Schistosoma mansoni pyruvate kinase 0.0081 0.0766 0.0766
Brugia malayi hypothetical protein 0.0024 0.0076 0.0072
Loa Loa (eye worm) hypothetical protein 0.0024 0.0076 0.0076
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0076 0.0076
Echinococcus granulosus pyruvate kinase 0.0081 0.0766 0.0766
Echinococcus granulosus Aminotransferase class III 0.0026 0.0104 0.0104
Schistosoma mansoni rab6-interacting 0.0024 0.0076 0.0076
Trypanosoma cruzi pyruvate kinase 2, putative 0.0081 0.0766 0.1216
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0841 1 1
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0841 1 1
Toxoplasma gondii pyruvate kinase PyKII 0.0041 0.0289 0.0256
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.0867 0.0867
Plasmodium falciparum pyruvate kinase 2 0.0041 0.0289 0.0215
Brugia malayi MAP kinase sur-1 0.0062 0.0534 0.053
Chlamydia trachomatis pyruvate kinase 0.0081 0.0766 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0841 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0218 0.2435 0.2435
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0534 0.0252
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0081 0.0766 0.0766
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0534 0.0534
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0293 0.3343 0.3339
Brugia malayi Doublecortin family protein 0.0024 0.0076 0.0072
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.0867 0.0867
Giardia lamblia Rab geranylgeranyltransferase 0.0218 0.2435 0.221
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0218 0.2435 0.2062
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0104 0.0104
Trypanosoma brucei hypothetical protein, conserved 0.0218 0.2435 1
Leishmania major pyruvate kinase 0.0081 0.0766 0.1216
Loa Loa (eye worm) pyruvate kinase-PB 0.0056 0.047 0.047
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0534 0.0435
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0218 0.2435 0.2435
Plasmodium falciparum pyruvate kinase 0.0081 0.0766 0.0694
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0104 0.0104
Schistosoma mansoni lipoxygenase 0.0024 0.0076 0.0076
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0076 0.0076
Schistosoma mansoni loxhd1 0.0024 0.0076 0.0076
Giardia lamblia Pyruvate kinase 0.0081 0.0766 0.049
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0218 0.2435 0.2377
Echinococcus multilocularis pyruvate kinase 0.0041 0.0289 0.0289
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.047
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0218 0.2435 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0218 0.2435 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0534 0.0534
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0218 0.2435 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0841 1 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0218 0.2435 0.2431
Brugia malayi hypothetical protein 0.0024 0.0076 0.0072
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0104 0.0028
Echinococcus granulosus pyruvate kinase 0.0081 0.0766 0.0766
Echinococcus granulosus pyruvate kinase 0.0041 0.0289 0.0289
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0841 1 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0218 0.2435 1
Trichomonas vaginalis pyruvate kinase, putative 0.0081 0.0766 0.0668
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0841 1 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0218 0.2435 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0534 0.0534
Plasmodium vivax pyruvate kinase, putative 0.0081 0.0766 0.0694
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0534 0.0594
Onchocerca volvulus Pyruvate kinase homolog 0.0081 0.0766 0.2922
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0218 0.2435 0.2355
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0218 0.2435 0.2377
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0534 0.0534
Schistosoma mansoni rab6-interacting 0.0024 0.0076 0.0076
Toxoplasma gondii hypothetical protein 0.0623 0.7352 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0076 0.0076
Trypanosoma brucei pyruvate kinase 1, putative 0.0081 0.0766 0.1216
Onchocerca volvulus 0.0218 0.2435 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0534 0.0435
Toxoplasma gondii pyruvate kinase PyK1 0.0081 0.0766 0.0912
Onchocerca volvulus Pyruvate kinase homolog 0.0081 0.0766 0.2922
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0218 0.2435 0.2435
Echinococcus granulosus pyruvate kinase 0.0041 0.0289 0.0289
Echinococcus multilocularis pyruvate kinase 0.0064 0.056 0.056
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0218 0.2435 0.2435
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0076 0.0076
Trichomonas vaginalis pyruvate kinase, putative 0.0081 0.0766 0.0668
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0841 1 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0218 0.2435 1
Plasmodium vivax pyruvate kinase 2, putative 0.0041 0.0289 0.0215
Trypanosoma brucei pyruvate kinase 1 0.0081 0.0766 0.1216
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0104 0.0028
Loa Loa (eye worm) hypothetical protein 0.0024 0.0076 0.0076
Giardia lamblia Rab geranylgeranyltransferase 0.0841 1 1
Echinococcus multilocularis pyruvate kinase 0.0081 0.0766 0.0766
Brugia malayi Pyruvate kinase, M2 isozyme 0.0081 0.0766 0.0761
Onchocerca volvulus Pyruvate kinase homolog 0.0081 0.0766 0.2922
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0623 0.7352 0.7324
Loa Loa (eye worm) pyruvate kinase 0.0081 0.0766 0.0766
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0104 0.0104
Echinococcus multilocularis pyruvate kinase 0.0041 0.0289 0.0289
Echinococcus granulosus RUN 0.0024 0.0076 0.0076
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0534 0.0534
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0597 0.0597
Toxoplasma gondii hypothetical protein 0.0218 0.2435 0.3216
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0534 0.0534
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0218 0.2435 1
Trypanosoma cruzi hypothetical protein, conserved 0.0218 0.2435 1
Schistosoma mansoni pyruvate kinase 0.0081 0.0766 0.0766
Schistosoma mansoni lipoxygenase 0.0067 0.0597 0.0597
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0081 0.0766 0.2042
Mycobacterium ulcerans L-lysine aminotransferase 0.0293 0.3343 1
Schistosoma mansoni pyruvate kinase 0.0041 0.0289 0.0289
Loa Loa (eye worm) pyruvate kinase 0.0081 0.0766 0.0766

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 25.11886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
K3 (binding) = 19800 M-1 min-1 Inhibitory rate constant against Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
K3 (binding) = 19800 M-1 min-1 Inhibitory rate constant against Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
K4 (binding) = 0.005 min-1 Dissociation constant of the Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
K4 (binding) = 0.005 min-1 Dissociation constant of the Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Kd (binding) = 0.46 uM The Dissociation Constant of the compound for Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Kd (binding) = 0.46 uM The Dissociation Constant of the compound for Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Ki (binding) = 0.3 uM Inhibitory activity against Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Ki (binding) = 0.3 uM Inhibitory activity against Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Kreact (binding) ~ 0.02 min-1 The Reactivation Kinetic Constant of the compound for Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Kreact (binding) ~ 0.02 min-1 The Reactivation Kinetic Constant of the compound for Gamma-amino-N-butyrate transaminase ChEMBL. 8576911
Potency (functional) = 0.0631 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of Acetylcholine Muscarinic M1 Receptor: Kinetic Measurement of Intracellular Calcium Response. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1413 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for NFkB Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 895 ] ChEMBL. No reference
Potency (functional) = 0.1413 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for NFkB Signaling Pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Activators of Leishmania Mexicana Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Firefly Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 2309 (Probe Summary for Inhibitors and Stabilizers of Firefly Luciferase)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of Acetylcholine Muscarinic M1 Receptor: Measurement of IP-One Response. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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