Detailed information for compound 1415838

Basic information

Technical information
  • TDR Targets ID: 1415838
  • Name: 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyr imidin-4-amine
  • MW: 292.335 | Formula: C17H16N4O
  • H donors: 1 H acceptors: 3 LogP: 2.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1ncnc(c1)NCc1cccnc1
  • InChi: 1S/C17H16N4O/c1-22-15-6-2-5-14(8-15)16-9-17(21-12-20-16)19-11-13-4-3-7-18-10-13/h2-10,12H,11H2,1H3,(H,19,20,21)
  • InChiKey: KCIUQTBRJROCJT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(3-methoxyphenyl)-N-(3-pyridylmethyl)pyrimidin-4-amine
  • 6-(3-methoxyphenyl)-N-(3-pyridylmethyl)-4-pyrimidinamine
  • [6-(3-methoxyphenyl)pyrimidin-4-yl]-(3-pyridylmethyl)amine
  • PCOP-652261
  • NCGC00011911

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens CDC-like kinase 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, 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
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase of MAP kinase family 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
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative 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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium falciparum protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 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
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva serine/threonine protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis MAPK 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum Serine/threonine-protein kinase Doa, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum 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_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative 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
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans MAP kinase-like orf 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
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense mitogen-activated protein 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) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
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 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) FAD binding domain-containing protein 0.0451 0.6038 0.6038
Mycobacterium ulcerans flavodoxin oxidoreductase 0.0083 0.0819 0.079
Plasmodium vivax oxidoreductase NAD-binding domain containing protein 0.0083 0.0819 0.0145
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0083 0.0819 0.079
Schistosoma mansoni NADPH flavin oxidoreductase 0.0368 0.486 0.486
Brugia malayi diaphorase 0.0083 0.0819 0.0819
Trichomonas vaginalis NADPH cytochrome P450, putative 0.028 0.3604 0.3252
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0521 0.0521
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0032 0.0032
Trichomonas vaginalis NADPH cytochrome P450, putative 0.028 0.3604 0.3252
Leishmania major NADH-dependent fumarate reductase-like protein 0.0083 0.0819 0.079
Loa Loa (eye worm) diaphorase 0.0083 0.0819 0.0819
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.0684 0.0684
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0083 0.0819 0.0819
Leishmania major reductase, putative 0.0083 0.0819 0.079
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0083 0.0819 0.079
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0083 0.0819 0.079
Leishmania major cytochrome-b5 reductase, putative 0.0083 0.0819 0.079
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0521 0.0491
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0083 0.0819 0.0819
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0521 0.0521
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.028 0.3604 0.3134
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Trichomonas vaginalis CMGC family protein kinase 0.0074 0.0684 0.0172
Entamoeba histolytica type A flavoprotein, putative 0.028 0.3604 0.5
Echinococcus granulosus peripheral plasma membrane protein CASK 0.0026 0.0016 0.0016
Leishmania major protein kinase, putative 0.0074 0.0684 0.0655
Trypanosoma brucei NADH-dependent fumarate reductase 0.0083 0.0819 0.079
Echinococcus granulosus dual specificity protein kinase clk2 0.0074 0.0684 0.0684
Echinococcus granulosus methionine synthase reductase 0.0451 0.6038 0.6038
Mycobacterium ulcerans electron transfer protein FdxB 0.0083 0.0819 0.079
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0731 1 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0083 0.0819 0.079
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0034 0.0126 0.0126
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0521 0.0521
Toxoplasma gondii flavodoxin domain-containing protein 0.0363 0.4781 1
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.1466 0.1466
Mycobacterium ulcerans flavodoxin reductase Hmp 0.0083 0.0819 0.079
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0118 0.1313 0.1313
Toxoplasma gondii flavodoxin domain-containing protein 0.0363 0.4781 1
Plasmodium falciparum ferredoxin--NADP reductase 0.0083 0.0819 0.0145
Schistosoma mansoni cytochrome B5 0.0083 0.0819 0.0819
Mycobacterium ulcerans monooxygenase 0.0083 0.0819 0.079
Echinococcus granulosus cytochrome b5 reductase 4 0.0083 0.0819 0.0819
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0731 1 1
Plasmodium vivax hypothetical protein, conserved 0.028 0.3604 0.3134
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0731 1 1
Leishmania major protein kinase, putative 0.0074 0.0684 0.0655
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0032 0.0032
Leishmania major p450 reductase, putative 0.0731 1 1
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0083 0.0819 0.079
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0083 0.0819 0.079
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0731 1 1
Trypanosoma brucei NADH-dependent fumarate reductase 0.0083 0.0819 0.079
Echinococcus multilocularis cytochrome b5 reductase 4 0.0083 0.0819 0.0819
Mycobacterium tuberculosis Probable monooxygenase 0.0083 0.0819 0.5
Trypanosoma cruzi p450 reductase, putative 0.0731 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0521 0.0491
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0118 0.1313 0.1313
Loa Loa (eye worm) hypothetical protein 0.0368 0.4852 0.4852
Trichomonas vaginalis NADPH cytochrome P450, putative 0.028 0.3604 0.3252
Leishmania major cytochrome P450 reductase, putative 0.0648 0.8822 0.8819
Giardia lamblia Nitric oxide synthase, inducible 0.0648 0.8822 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0669 0.0669
Entamoeba histolytica type A flavoprotein, putative 0.028 0.3604 0.5
Leishmania major nitrate reductase, putative 0.0083 0.0819 0.079
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0074 0.0684 0.0655
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.028 0.3604 0.3583
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0083 0.0819 0.0819
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0731 1 1
Leishmania major NADH-dependent fumarate reductase, putative 0.0083 0.0819 0.079
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0521 0.0521
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0208 0.0208
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0083 0.0819 0.079
Schistosoma mansoni MAGUK homolog 0.0026 0.0016 0.0016
Entamoeba histolytica type A flavoprotein, putative 0.028 0.3604 0.5
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0083 0.0819 0.0699
Schistosoma mansoni voltage-gated potassium channel 0.0129 0.1466 0.1466
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0083 0.0819 0.5
Mycobacterium ulcerans oxidoreductase 0.0083 0.0819 0.079
Echinococcus multilocularis 0.0072 0.0669 0.0669
Brugia malayi FAD binding domain containing protein 0.0731 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0731 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0731 1 1
Loa Loa (eye worm) flavodoxin family protein 0.028 0.3604 0.3604
Brugia malayi Protein kinase domain containing protein 0.0074 0.0684 0.0684
Loa Loa (eye worm) AGC/MAST/MAST protein kinase 0.0026 0.0016 0.0016
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0083 0.0819 0.0819
Entamoeba histolytica type A flavoprotein, putative 0.028 0.3604 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.0684 0.0684
Echinococcus multilocularis peripheral plasma membrane protein CASK 0.0026 0.0016 0.0016
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.028 0.3604 0.3134
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0731 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0083 0.0819 0.079
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0083 0.0819 0.0699
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Mycobacterium tuberculosis Possible oxygenase 0.0083 0.0819 0.5
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Brugia malayi flavodoxin family protein 0.028 0.3604 0.3604
Brugia malayi Cytochrome P450 family protein 0.004 0.0208 0.0208
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0368 0.4852 0.4852
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0731 1 1
Leishmania major oxidoreductase-like protein 0.0083 0.0819 0.079
Echinococcus granulosus Microtubule-associated serine/threonine-protein kinase 0.0026 0.0016 0.0016
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0731 1 1
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0731 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0034 0.0126 0.0126
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.0083 0.0819 0.079
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0074 0.0684 0.0382
Brugia malayi FAD binding domain containing protein 0.0451 0.6038 0.6038
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0368 0.4852 0.4852
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0521 0.0491
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0083 0.0819 0.5
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Trypanosoma brucei protein kinase, putative 0.0062 0.0521 0.0491
Trypanosoma cruzi reductase, putative 0.0083 0.0819 0.079
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0074 0.0684 0.0655
Brugia malayi Cytochrome P450 family protein 0.0028 0.0032 0.0032
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0083 0.0819 0.079
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.028 0.3604 0.3583
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.1203 0.0719
Leishmania major hypothetical protein, conserved 0.028 0.3604 0.3583
Leishmania major cytochrome-b5 reductase, putative 0.0083 0.0819 0.079
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Leishmania major NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Plasmodium vivax flavodoxin domain containing protein 0.0648 0.8822 0.8736
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0521 0.0491
Leishmania major NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0521 0.0491
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.1203 0.0719
Echinococcus granulosus cytochrome b5 reductase 4 0.0083 0.0819 0.0819
Echinococcus multilocularis methionine synthase reductase 0.0451 0.6038 0.6038
Brugia malayi MAP kinase sur-1 0.0062 0.0521 0.0521
Trypanosoma cruzi nitrate reductase, putative 0.0083 0.0819 0.079
Plasmodium falciparum nitric oxide synthase, putative 0.0731 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0586 0.0586
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0521 0.0491
Echinococcus granulosus hypothetical protein 0.0072 0.0669 0.0669
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0521 0.0521
Loa Loa (eye worm) hypothetical protein 0.0368 0.4852 0.4852
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.0126 0.0126
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0118 0.1313 0.1313
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0521 0.0521
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Schistosoma mansoni cytochrome P450 reductase 0.0731 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0118 0.1313 0.1313
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0521 0.0491
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0074 0.0684 0.0655
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0586 0.0586
Leishmania major NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Mycobacterium ulcerans oxygenase 0.0083 0.0819 0.079
Entamoeba histolytica type A flavoprotein, putative 0.028 0.3604 0.5
Plasmodium vivax ferredoxin--NADP reductase, putative 0.0083 0.0819 0.0145
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0083 0.0819 0.079
Echinococcus multilocularis microtubule associated serine:threonine protein 0.0026 0.0016 0.0016
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0731 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0731 1 1
Schistosoma mansoni amine GPCR 0.0409 0.5439 0.5439
Schistosoma mansoni diflavin oxidoreductase 0.0363 0.4781 0.4781
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0451 0.6038 0.6038
Loa Loa (eye worm) hypothetical protein 0.0731 1 1
Trypanosoma brucei nitrate reductase, putative 0.0083 0.0819 0.079
Echinococcus multilocularis dual specificity protein kinase clk2 0.0074 0.0684 0.0684
Brugia malayi Cytochrome P450 family protein 0.0028 0.0032 0.0032
Plasmodium falciparum NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.0145
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Trypanosoma brucei oxidoreductase-protein, putative 0.0083 0.0819 0.079
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Loa Loa (eye worm) hypothetical protein 0.0506 0.681 0.681
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.028 0.3604 0.3583
Mycobacterium tuberculosis Probable oxidoreductase 0.0083 0.0819 0.5
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0083 0.0819 0.0819
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.028 0.3604 0.3583
Schistosoma mansoni lipoxygenase 0.0067 0.0586 0.0586
Giardia lamblia Flavohemoprotein lateral transfer candidate 0.0083 0.0819 0.0359
Trypanosoma cruzi oxidoreductase-protein, putative 0.0083 0.0819 0.079
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0083 0.0819 0.079
Chlamydia trachomatis sulfite reductase 0.0451 0.6038 1
Echinococcus granulosus voltage gated potassium channel 0.0034 0.0126 0.0126
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0074 0.0684 0.0655
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0074 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.0034 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0506 0.681 0.681
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0731 1 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0083 0.0819 0.079
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0074 0.0684 0.0655
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.0126 0.0126
Onchocerca volvulus 0.0083 0.0819 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0648 0.8822 0.8758
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0032 0.0032
Giardia lamblia Kinase, CMGC CLK 0.0074 0.0684 0.0196
Giardia lamblia Hypothetical protein 0.0648 0.8822 1
Treponema pallidum flavodoxin 0.028 0.3604 1
Onchocerca volvulus 0.0026 0.0016 0.0193
Trichomonas vaginalis NADPH cytochrome P450, putative 0.028 0.3604 0.3252
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0731 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1092 0.1092
Chlamydia trachomatis Na(+)-translocating NADH-quinone reductase subunit F 0.0083 0.0819 0.1357
Echinococcus multilocularis voltage gated potassium channel 0.0034 0.0126 0.0126
Trypanosoma cruzi p450 reductase, putative 0.0083 0.0819 0.079
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0034 0.0126 0.0126
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0074 0.0684 0.0655
Trichomonas vaginalis sulfite reductase, putative 0.0731 1 1

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-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.630957344 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) = 3.981071706 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
AC50 (functional) = 10 uM 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) = 25.11886432 uM 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
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.9811 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-FP Assay). (Class of assay: confirmatory) [Related pubchem assays: 1771, 1770 ] ChEMBL. No reference
Potency (ADMET) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (ADP-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of CDC-like Kinase 4 (Kinase-Glo Assay). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 15.8489 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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

No literature references available for this target.

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