Detailed information for compound 1406946

Basic information

Technical information
  • TDR Targets ID: 1406946
  • Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopen tyl-N'-(4-methylpyridin-2-yl)butanediamide
  • MW: 388.504 | Formula: C21H32N4O3
  • H donors: 2 H acceptors: 4 LogP: 1.69 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nccc(c1)C)CCC(=O)N(C1CCCC1)CC(=O)NC(C)(C)C
  • InChi: 1S/C21H32N4O3/c1-15-11-12-22-17(13-15)23-18(26)9-10-20(28)25(16-7-5-6-8-16)14-19(27)24-21(2,3)4/h11-13,16H,5-10,14H2,1-4H3,(H,24,27)(H,22,23,26)
  • InChiKey: JRVGFIDNSQBKPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(tert-butylamino)-2-oxo-ethyl]-N-cyclopentyl-N'-(4-methyl-2-pyridyl)butanediamide
  • N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-N'-(4-methyl-2-pyridyl)butanediamide
  • N-[2-(tert-butylamino)-2-keto-ethyl]-N-cyclopentyl-N'-(4-methyl-2-pyridyl)succinamide
  • N-[2-(tert-butylamino)-2-oxo-ethyl]-N-cyclopentyl-N'-(4-methylpyridin-2-yl)butanediamide
  • SMR000004830
  • ZINC04092428
  • ASN 05549300
  • MLS000031209
  • N-(tert-Butylcarbamoyl-methyl)-N-cyclopentyl-N'-(4-methyl-pyridin-2-yl)-succinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
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 granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
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 gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Kinase, CMGC MAPK 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus mitogen activated protein kinase 3 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
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen-activated protein kinase 11, 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
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
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
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
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
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis MAPK 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
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative 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 brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
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 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0024 0.1096 0.1096
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.1082 1
Entamoeba histolytica recQ family DNA helicase 0.0012 0.032 0.2962
Onchocerca volvulus 0.004 0.2117 0.5
Loa Loa (eye worm) calpain family protein 1 0.0047 0.2588 0.2588
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.1082 0.3072
Schistosoma mansoni ap endonuclease 0.0023 0.1003 0.1003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3114 0.3114
Loa Loa (eye worm) calpain 5 0.0017 0.0625 0.0625
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3114 0.2346
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.1082 0.1082
Schistosoma mansoni calpain (C02 family) 0.0024 0.1096 0.1096
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0024 0.1096 0.3112
Echinococcus granulosus calpain 5 0.0024 0.1096 0.0104
Trypanosoma brucei calpain-like protein, putative 0.0024 0.1096 0.3112
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1003 0.1003
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0024 0.1096 0.3112
Trypanosoma brucei calpain-like protein, putative 0.0024 0.1096 0.3112
Entamoeba histolytica protein kinase, putative 0.0017 0.0661 0.611
Leishmania major kinesin, putative 0.0017 0.0625 0.1774
Trypanosoma cruzi kinesin, putative 0.0017 0.0625 0.0625
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1003 0.9267
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.029 0.029
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.032 0.0374
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.3522 1
Echinococcus multilocularis bloom syndrome protein 0.0024 0.1082 0.0088
Loa Loa (eye worm) calpain family protein 1 0.0064 0.3684 0.3684
Loa Loa (eye worm) cathepsin B 0.0053 0.2984 0.2984
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.1082 0.3072
Brugia malayi calpain family protein 1 0.0064 0.3684 0.3684
Giardia lamblia Cathepsin B precursor 0.0053 0.2984 0.7865
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0067 0.3872 0.3189
Echinococcus granulosus calpain 7 C02 family 0.0024 0.1096 0.0104
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0053 0.2984 0.8473
Brugia malayi calpain 7 0.0024 0.1096 0.1096
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.1082 0.3072
Loa Loa (eye worm) hypothetical protein 0.0024 0.1082 0.1082
Toxoplasma gondii cathepsin B 0.0053 0.2984 0.8473
Echinococcus granulosus bloom syndrome protein 0.0024 0.1082 0.0088
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0024 0.1096 0.1096
Echinococcus granulosus calpain 0.0024 0.1096 0.0104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3114 0.2346
Schistosoma mansoni calpain C (C02 family) 0.0024 0.1096 0.1096
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.1082 0.1082
Brugia malayi calpain family protein 1 0.0064 0.3684 0.3684
Schistosoma mansoni DNA helicase recq5 0.0024 0.1082 0.1082
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.3522 0.28
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1003 0.5
Loa Loa (eye worm) RecQ helicase 0.0024 0.1082 0.1082
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.032 0.032
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.3522 0.28
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1003 0.1003
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.032 0.032
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0053 0.2984 0.2984
Giardia lamblia Cathepsin B precursor 0.0053 0.2984 0.7865
Echinococcus multilocularis hypothetical protein 0.0024 0.1096 0.0104
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.3522 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.3522 0.3522
Brugia malayi MAP kinase sur-1 0.0062 0.3522 0.3522
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 0.1082 0.0315
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0024 0.1096 0.1096
Trypanosoma cruzi kinesin, putative 0.0017 0.0625 0.0625
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0053 0.2984 0.8473
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.029 0.0824
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0024 0.1096 0.3112
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.1003 0.9267
Echinococcus multilocularis calpain 7 (C02 family) 0.0024 0.1096 0.0104
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.3522 0.3522
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0024 0.1096 0.3112
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0067 0.3872 0.3189
Giardia lamblia Cathepsin B precursor 0.0053 0.2984 0.7865
Echinococcus multilocularis calpain 0.0024 0.1096 0.0104
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.032 0.032
Echinococcus multilocularis calpain family protein 1, d 0.0047 0.2588 0.1762
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.3522 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3684 0.3684
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0067 0.3872 0.3872
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.1003 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.1082 0.0088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3114 0.2346
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.3522 1
Schistosoma mansoni Mername-AA248 (C02 family) 0.0024 0.1096 0.1096
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1003 0.2847
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0024 0.1096 0.1096
Trypanosoma brucei cysteine peptidase C (CPC) 0.0053 0.2984 0.8473
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0024 0.1096 0.1096
Brugia malayi calpain 5 0.0017 0.0625 0.0625
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3522 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1003 0.1003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3114 0.3114
Echinococcus multilocularis calpain 5 0.0024 0.1096 0.0104
Schistosoma mansoni DNA helicase recq1 0.0024 0.1082 0.1082
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.3522 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1003 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1003 0.2847
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1003 0.5
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.1082 0.0088
Entamoeba histolytica recQ family helicase, putative 0.0024 0.1082 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.1082 0.3072
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0024 0.1096 0.1096
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0024 0.1096 0.1096
Loa Loa (eye worm) hypothetical protein 0.0012 0.032 0.032
Schistosoma mansoni calpain-7 (C02 family) 0.0024 0.1096 0.1096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3114 0.3114
Loa Loa (eye worm) calpain 0.0024 0.1096 0.1096
Plasmodium vivax calpain, putative 0.0024 0.1096 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3522 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.1082 0.1082
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0024 0.1082 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.1082 0.3072
Loa Loa (eye worm) hypothetical protein 0.004 0.2117 0.2117
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0024 0.1096 0.1096
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0067 0.3872 0.3872
Toxoplasma gondii exonuclease III APE 0.0023 0.1003 0.2847
Entamoeba histolytica recQ family helicase, putative 0.0012 0.029 0.2683
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0024 0.1096 0.1096
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3114 0.2346
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.3522 0.3522
Trypanosoma brucei calpain-like protein, putative 0.0024 0.1096 0.3112
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.1082 0.0088
Trypanosoma brucei antigen, putative 0.0024 0.1096 0.3112
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.1082 0.1082
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1003 0.1003
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1003 0.884
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1003 0.2847
Schistosoma mansoni ap endonuclease 0.0023 0.1003 0.1003
Trypanosoma brucei kinesin, putative 0.0017 0.0625 0.1774
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3522 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0024 0.1096 0.1096
Echinococcus multilocularis calpain A 0.0067 0.3872 0.3189
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.3114 0.3114
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.3522 0.3522
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.3114 0.3114
Loa Loa (eye worm) hypothetical protein 0.0057 0.3213 0.3213
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1003 0.2847
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3522 0.3522
Trypanosoma brucei calpain-like protein, putative 0.0024 0.1096 0.3112
Loa Loa (eye worm) hypothetical protein 0.0012 0.032 0.032
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3522 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.1082 0.1082
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.1082 0.3072
Schistosoma mansoni calpain-7 (C02 family) 0.0024 0.1096 0.1096
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.032 0.091
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.3522 0.28
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0053 0.2984 0.2984
Loa Loa (eye worm) hypothetical protein 0.0047 0.2588 0.2588
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0024 0.1096 0.3112
Echinococcus granulosus calpain A 0.0067 0.3872 0.3189
Echinococcus granulosus calpain A 0.0024 0.1096 0.0104
Entamoeba histolytica calpain large subunit domain III containing protein 0.0017 0.0625 0.5776
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3522 0.3522
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.3522 0.28
Trypanosoma brucei protein kinase, putative 0.0062 0.3522 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0064 0.3684 0.3684
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.1082 0.0088
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.1082 0.3072

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0022 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 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) = 39.5068 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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