Detailed information for compound 1384978

Basic information

Technical information
  • TDR Targets ID: 1384978
  • Name: 6-amino-3-pyridin-2-yl-4-(2,3,4-trimethoxyphe nyl)-2,4-dihydropyrano[6,5-c]pyrazole-5-carbo nitrile
  • MW: 405.407 | Formula: C21H19N5O4
  • H donors: 2 H acceptors: 3 LogP: 2.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)Oc2c(C1c1ccc(c(c1OC)OC)OC)c(n[nH]2)c1ccccn1
  • InChi: 1S/C21H19N5O4/c1-27-14-8-7-11(18(28-2)19(14)29-3)15-12(10-22)20(23)30-21-16(15)17(25-26-21)13-6-4-5-9-24-13/h4-9,15H,23H2,1-3H3,(H,25,26)
  • InChiKey: INXFECVKGVGQOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-3-(2-pyridyl)-4-(2,3,4-trimethoxyphenyl)-2,4-dihydropyrano[6,5-c]pyrazole-5-carbonitrile
  • 6-amino-3-pyridin-2-yl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
  • MLS000090381
  • SMR000024991
  • A2684/0114432

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 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
Schistosoma mansoni serine/threonine protein kinase 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
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 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
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma congolense tyrosine protein 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
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 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
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_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum MAPK, 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Candida albicans Serine/threonine protein kinase of MAP kinase family 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
Candida albicans MAP kinase-like orf 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
Trypanosoma brucei gambiense apurinic/apyrimidinic 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
Echinococcus multilocularis mitogen activated protein kinase 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 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
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, 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
Theileria parva hypothetical 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis ap endonuclease, putative 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen activated protein kinase 2, 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis mitogen activated protein kinase 3 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii putative AP endonuclease-related 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
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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 mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TK/ROR protein kinase 0.0064 0.0135 0.0191
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0115 0.2557 0.3611
Schistosoma mansoni ephrin receptor 0.0149 0.4167 0.487
Brugia malayi Immunoglobulin I-set domain containing protein 0.0146 0.4001 0.565
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0002 0.0002
Brugia malayi Fibronectin type III domain containing protein 0.0115 0.2557 0.3611
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0177 0.5502 0.7771
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0126 0.308 0.308
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0146 0.4032 0.5694
Onchocerca volvulus 0.0146 0.4001 0.9748
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0246 0.0246
Echinococcus granulosus titin 0.0146 0.4027 0.4027
Echinococcus granulosus fibronectin type III domain-containing protein 0.0115 0.2557 0.2557
Schistosoma mansoni neuroglian 0.0177 0.5476 0.64
Onchocerca volvulus Huntingtin homolog 0.0148 0.4104 1
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0115 0.2557 1
Echinococcus multilocularis roundabout 2 0.0177 0.5476 0.5476
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0177 0.5476 0.5476
Trypanosoma cruzi hypothetical protein, conserved 0.0115 0.2557 1
Onchocerca volvulus 0.0115 0.2557 0.623
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0146 0.4001 0.565
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0115 0.2557 0.2557
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0115 0.2557 0.2557
Echinococcus multilocularis Immunoglobulin 0.0095 0.1605 0.1605
Echinococcus multilocularis cell adhesion molecule 0.0115 0.2557 0.2557
Brugia malayi Immunoglobulin I-set domain containing protein 0.0146 0.4001 0.565
Schistosoma mansoni hypothetical protein 0.0115 0.2557 0.2988
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0115 0.2557 0.3611
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0146 0.4032 0.4032
Onchocerca volvulus 0.0115 0.2557 0.623
Echinococcus granulosus anosmin 1 0.0115 0.2557 0.2557
Echinococcus multilocularis anosmin 1 0.0115 0.2557 0.2557
Brugia malayi Immunoglobulin I-set domain containing protein 0.0146 0.4032 0.5694
Onchocerca volvulus 0.0115 0.2557 0.623
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Brugia malayi Fibronectin type III domain containing protein 0.0115 0.2557 0.3611
Schistosoma mansoni titin 0.0115 0.2557 0.2988
Brugia malayi SPRY domain containing protein 0.0115 0.2557 0.3611
Schistosoma mansoni hypothetical protein 0.0115 0.2557 0.2988
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0146 0.4001 0.565
Echinococcus multilocularis roundabout 2 0.0272 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0177 0.5476 0.7733
Schistosoma mansoni tyrosine kinase 0.0095 0.161 0.1882
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0115 0.2557 0.2557
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0115 0.2557 0.2988
Loa Loa (eye worm) hypothetical protein 0.0146 0.4001 0.565
Onchocerca volvulus 0.0115 0.2557 0.623
Loa Loa (eye worm) hypothetical protein 0.0211 0.7081 1
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0064 0.0135 0.0135
Brugia malayi Fibronectin type III domain containing protein 0.0211 0.7081 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Onchocerca volvulus Huntingtin homolog 0.0148 0.4104 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0115 0.2557 0.3611
Echinococcus granulosus neuroglian 0.0126 0.3049 0.3049
Schistosoma mansoni vesicular amine transporter 0.0095 0.1605 0.1876
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Echinococcus multilocularis Fibronectin, type III 0.0115 0.2557 0.2557
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0115 0.2557 0.2557
Brugia malayi hypothetical protein 0.0211 0.7081 1
Schistosoma mansoni titin 0.0146 0.4027 0.4707
Leishmania major hypothetical protein, conserved 0.0115 0.2557 1
Brugia malayi Fibronectin type III domain containing protein 0.0115 0.2557 0.3611
Onchocerca volvulus 0.0115 0.2557 0.623
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Echinococcus granulosus G1Y162 protein 0.0115 0.2557 0.2557
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0115 0.2557 0.2557
Schistosoma mansoni factor for adipocyte differentiation 0.0115 0.2557 0.2988
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Loa Loa (eye worm) CAMK protein kinase 0.0146 0.4027 0.5688
Echinococcus granulosus Fibronectin type III domain containing protein 0.0115 0.2557 0.2557
Echinococcus multilocularis anosmin 1 0.0115 0.2557 0.2557
Schistosoma mansoni factor for adipocyte differentiation 0.0115 0.2557 0.2988
Loa Loa (eye worm) TK protein kinase 0.0064 0.0135 0.0191
Schistosoma mansoni nephrin 0.0177 0.5476 0.64
Echinococcus multilocularis neuroglian 0.0177 0.5476 0.5476
Echinococcus multilocularis usherin 0.0115 0.2557 0.2557
Brugia malayi Immunoglobulin I-set domain containing protein 0.0146 0.4001 0.565
Loa Loa (eye worm) lethal protein 805 0.0115 0.2557 0.3611
Echinococcus granulosus neuroglian 0.0177 0.5476 0.5476
Loa Loa (eye worm) hypothetical protein 0.0211 0.7081 1
Onchocerca volvulus 0.0115 0.2557 0.623
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0115 0.2557 0.2988
Brugia malayi Immunoglobulin I-set domain containing protein 0.0146 0.4001 0.565
Schistosoma mansoni tripartite motif protein trim9 0.0115 0.2557 0.2988
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0095 0.1605 0.1876
Echinococcus multilocularis anosmin 1 0.0115 0.2557 0.2557
Brugia malayi Immunoglobulin I-set domain containing protein 0.016 0.469 0.6623
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0002 0.0002
Echinococcus granulosus roundabout 2 0.0177 0.5476 0.5476
Loa Loa (eye worm) projectin 0.0146 0.4001 0.565
Echinococcus granulosus nephrin 0.0146 0.4001 0.4001
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0115 0.2557 0.2557
Brugia malayi hypothetical protein 0.0148 0.4104 0.5796
Onchocerca volvulus 0.0115 0.2557 0.623
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0002 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0177 0.5476 0.7733
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0115 0.2557 0.2988
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0115 0.2557 0.2988
Echinococcus granulosus Netrin receptor DCC 0.0115 0.2557 0.2557
Schistosoma mansoni lipoxygenase 0.0067 0.0246 0.0287
Echinococcus granulosus defective proboscis extension response 0.0095 0.1605 0.1605
Brugia malayi protein unc-22 0.0146 0.4027 0.5688
Echinococcus granulosus contactin 0.0177 0.5476 0.5476
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Brugia malayi Protein-tyrosine phosphatase 0.0115 0.2557 0.3611
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0002 0.5
Echinococcus multilocularis Netrin receptor DCC 0.0115 0.2557 0.2557
Echinococcus granulosus anosmin 1 0.0115 0.2557 0.2557
Loa Loa (eye worm) hypothetical protein 0.0146 0.4001 0.565
Loa Loa (eye worm) hypothetical protein 0.0211 0.7081 1
Echinococcus granulosus Immunoglobulin 0.0095 0.1605 0.1605
Schistosoma mansoni serine/threonine protein kinase 0.0146 0.4027 0.4707
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0002 0.5
Echinococcus multilocularis transfer RNA-Phe 0.0146 0.4001 0.4001
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0095 0.1605 0.1876
Schistosoma mansoni cell adhesion molecule 0.0146 0.4001 0.4676
Echinococcus granulosus titin 0.0146 0.4027 0.4027
Brugia malayi Immunoglobulin I-set domain containing protein 0.0177 0.5476 0.7733
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0115 0.2557 0.3611
Schistosoma mansoni hypothetical protein 0.0146 0.4001 0.4676
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0002 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0146 0.4001 0.4001
Onchocerca volvulus 0.0115 0.2557 0.623
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Echinococcus multilocularis titin 0.0115 0.2557 0.2557
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0177 0.5476 0.5476
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0115 0.2557 0.3611
Brugia malayi Immunoglobulin I-set domain containing protein 0.0146 0.4001 0.565
Schistosoma mansoni titin 0.0146 0.4001 0.4676
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0149 0.4167 0.4167
Onchocerca volvulus Tyrosine kinase homolog 0.0064 0.0135 0.0329
Loa Loa (eye worm) hypothetical protein 0.0157 0.4524 0.6389
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0115 0.2557 0.3611
Echinococcus multilocularis Immunoglobulin 0.0095 0.1605 0.1605
Schistosoma mansoni hemicentin 0.0146 0.4001 0.4676
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0064 0.0135 0.0135
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0002 0.5
Echinococcus granulosus roundabout 2 0.0177 0.5476 0.5476
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0135 0.0191
Loa Loa (eye worm) hypothetical protein 0.0148 0.4104 0.5796
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0146 0.4027 0.5688
Brugia malayi myotactin form B 0.0115 0.2557 0.3611
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0246 0.0246
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0115 0.2557 0.2557
Onchocerca volvulus 0.0115 0.2557 0.623
Brugia malayi Immunoglobulin I-set domain containing protein 0.0146 0.4001 0.565
Brugia malayi Immunoglobulin I-set domain containing protein 0.0211 0.7081 1
Brugia malayi Lethal protein 805 0.0115 0.2557 0.3611
Schistosoma mansoni protein tyrosine phosphatase 0.0115 0.2557 0.2988
Loa Loa (eye worm) TK/KIN16 protein kinase 0.016 0.469 0.6623
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0115 0.2557 0.2557
Onchocerca volvulus 0.0146 0.4027 0.9813
Brugia malayi Lethal protein 805 0.0115 0.2557 0.3611
Onchocerca volvulus 0.0115 0.2557 0.623
Brugia malayi hypothetical protein 0.0115 0.2557 0.3611
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0146 0.4001 0.565
Loa Loa (eye worm) hypothetical protein 0.0177 0.5476 0.7733
Loa Loa (eye worm) UNCoordinated family member 0.0115 0.2557 0.3611
Loa Loa (eye worm) myotactin form A 0.0115 0.2557 0.3611
Brugia malayi Fibronectin type III domain containing protein 0.0115 0.2557 0.3611
Onchocerca volvulus 0.0146 0.4001 0.9748
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0177 0.5476 0.5476
Brugia malayi Immunoglobulin I-set domain containing protein 0.0177 0.5476 0.7733
Schistosoma mansoni cell adhesion molecule 0.0177 0.5476 0.64
Echinococcus granulosus cell adhesion molecule 0.0115 0.2557 0.2557
Schistosoma mansoni myosin-binding protein-related 0.0146 0.4001 0.4676
Schistosoma mansoni nephrin 0.0241 0.8525 0.9964
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Loa Loa (eye worm) hypothetical protein 0.0148 0.4104 0.5796
Echinococcus granulosus Netrin receptor DCC 0.0115 0.2557 0.2557
Echinococcus multilocularis Netrin receptor DCC 0.0115 0.2557 0.2557
Schistosoma mansoni factor for adipocyte differentiation 0.0115 0.2557 0.2988
Loa Loa (eye worm) hypothetical protein 0.0095 0.1605 0.2267
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0146 0.4032 0.4032
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0115 0.2557 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Echinococcus granulosus twitchin 0.0126 0.3076 0.3076
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Schistosoma mansoni cell adhesion molecule 0.0146 0.4001 0.4676
Brugia malayi Immunoglobulin I-set domain containing protein 0.0146 0.4027 0.5688
Echinococcus multilocularis titin 0.0146 0.4027 0.4027
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0002 0.0003
Schistosoma mansoni cell adhesion molecule 0.0177 0.5476 0.64
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0095 0.1605 0.1605
Loa Loa (eye worm) hypothetical protein 0.0095 0.1605 0.2267
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0177 0.5476 0.5476
Onchocerca volvulus 0.0115 0.2557 0.623
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0115 0.2557 0.2557
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0115 0.2557 0.2557
Echinococcus multilocularis neuroglian 0.0126 0.3049 0.3049
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0002 0.5
Echinococcus granulosus Fibronectin type III 0.0115 0.2557 0.2557
Loa Loa (eye worm) hypothetical protein 0.0095 0.1605 0.2267
Brugia malayi myotactin form A 0.0115 0.2557 0.3611
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0002 0.0002
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0177 0.5476 0.5476
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0002 0.0002
Echinococcus granulosus anosmin 1 0.0115 0.2557 0.2557
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0149 0.4167 0.4167
Brugia malayi MAP kinase sur-1 0.0062 0.0002 0.0003
Brugia malayi Fibronectin type III domain containing protein 0.0115 0.2557 0.3611
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0115 0.2557 0.3611
Loa Loa (eye worm) hypothetical protein 0.0157 0.4524 0.6389
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0002 0.0002
Schistosoma mansoni cell adhesion molecule 0.0242 0.8556 1
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0115 0.2557 1
Echinococcus granulosus EG95 0.0115 0.2557 0.2557
Loa Loa (eye worm) hypothetical protein 0.0115 0.2557 0.3611
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0177 0.5476 0.64
Echinococcus multilocularis roundabout 2 0.0177 0.5476 0.5476
Loa Loa (eye worm) hypothetical protein 0.0126 0.308 0.435
Echinococcus granulosus usherin 0.0115 0.2557 0.2557

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.005 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 10 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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 Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 50.1187 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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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