Detailed information for compound 1449939

Basic information

Technical information
  • TDR Targets ID: 1449939
  • Name: 6-(1,3-benzodioxol-5-yl)-N-methylquinazolin-4 -amine
  • MW: 279.293 | Formula: C16H13N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.3 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1ncnc2c1cc(cc2)c1ccc2c(c1)OCO2
  • InChi: 1S/C16H13N3O2/c1-17-16-12-6-10(2-4-13(12)18-8-19-16)11-3-5-14-15(7-11)21-9-20-14/h2-8H,9H2,1H3,(H,17,18,19)
  • InChiKey: JQHXFMWAYFJYJC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(1,3-benzodioxol-5-yl)-N-methyl-quinazolin-4-amine
  • 6-(1,3-benzodioxol-5-yl)-N-methyl-4-quinazolinamine
  • [6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]-methyl-amine
  • NCGC00010772
  • PCOP-260060

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens CDC-like kinase 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major cytochrome p450-like 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
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi serine/threonine kinase-1, 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 cruzi kinetoplastid kinetochore protein 19, putative 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
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium parvum serine/threonine kinase-1 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
Leishmania major protein kinase, putative 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
Plasmodium vivax serine/threonine kinase-1, putative 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 brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Neospora caninum hypothetical protein 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
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
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 cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase 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
Theileria parva serine/threonine 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 braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
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
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_126990 All targets in OG5_126990
Echinococcus multilocularis dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus hypothetical protein 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
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Protein kinase domain containing protein 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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative 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
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 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
Loa Loa (eye worm) CMGC/CLK protein kinase 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
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
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
Schistosoma mansoni protein kinase 0.0026 0.0094 0.0187
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0182 0.5015 1
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0527 0.044
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.1117 0.2227
Loa Loa (eye worm) hypothetical protein 0.0036 0.039 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.039 0.0302
Loa Loa (eye worm) hypothetical protein 0.0036 0.039 0.0302
Echinococcus granulosus mitogen activated protein kinase 15 0.0026 0.0094 0.0187
Trypanosoma brucei protein kinase, putative 0.0087 0.2026 0.3927
Mycobacterium ulcerans chitinase/cellulase 0.0062 0.122 1
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.2678 1
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.2678 1
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0108 0.2678 0.525
Echinococcus multilocularis lamin dm0 0.0033 0.0287 0.0572
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0108 0.2678 0.525
Brugia malayi cyclin-dependent kinase 7 homolog 0.0026 0.0094 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.039 0.0302
Echinococcus multilocularis dual specificity 0.0108 0.2678 0.5339
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.039 0.0778
Echinococcus multilocularis dual specificity 0.0182 0.5015 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0132 0.0041
Onchocerca volvulus Putative endochitinase 0.0081 0.1838 0.1597
Loa Loa (eye worm) haspin protein kinase 0.0136 0.3567 0.3508
Echinococcus multilocularis dual specificity 0.0108 0.2678 0.5339
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.039 0.0778
Onchocerca volvulus Bile acid receptor homolog 0.0339 1 1
Echinococcus granulosus dual specificity 0.0108 0.2678 0.5339
Loa Loa (eye worm) hypothetical protein 0.0179 0.4921 0.4874
Echinococcus granulosus intermediate filament protein 0.0033 0.0287 0.0572
Onchocerca volvulus 0.0115 0.2914 0.2705
Onchocerca volvulus 0.0036 0.039 0.0106
Loa Loa (eye worm) haspin protein kinase 0.0139 0.3661 0.3603
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0132 0.0077
Loa Loa (eye worm) hypothetical protein 0.0115 0.2914 0.2849
Brugia malayi Endochitinase 0.0081 0.1838 0.1763
Brugia malayi Protein kinase domain containing protein 0.0026 0.0094 0.0003
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.1281 0.4595
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0132 0.0077
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.1645 0.3281
Echinococcus multilocularis mitogen activated protein kinase 3 0.0064 0.1281 0.2555
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.039 0.0778
Loa Loa (eye worm) haspin protein kinase 0.0136 0.3567 0.3508
Plasmodium falciparum conserved protein, unknown function 0.0115 0.2914 1
Leishmania major protein kinase, putative 0.0075 0.1645 0.3153
Schistosoma mansoni coup transcription factor 0.0036 0.039 0.0778
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.039 0.0778
Leishmania major chitinase 0.0073 0.156 0.2979
Loa Loa (eye worm) hypothetical protein 0.0062 0.122 0.1139
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.039 0.0302
Onchocerca volvulus Putative endochitinase 0.0081 0.1838 0.1597
Leishmania major cytochrome p450-like protein 0.0028 0.0132 0.0077
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0026 0.0094 0.0187
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0075 0.1645 0.3153
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0026 0.0091 0.0182
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.039 0.0778
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0091 0.0182
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0633 0.1262
Mycobacterium tuberculosis Possible chitinase 0.0062 0.122 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0064 0.1281 0.2555
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0115 0.2914 0.5811
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0108 0.2678 0.261
Brugia malayi hypothetical protein 0.0197 0.5501 0.546
Schistosoma mansoni intermediate filament proteins 0.0033 0.0287 0.0572
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.039 0.0778
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0182 0.5015 1
Loa Loa (eye worm) hypothetical protein 0.0339 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.039 0.0302
Brugia malayi MAP kinase sur-1 0.0064 0.1281 0.1201
Echinococcus multilocularis lamin 0.0033 0.0287 0.0572
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0026 0.0091 0.0182
Echinococcus multilocularis cyclin dependent kinase 9 0.0026 0.0094 0.0187
Entamoeba histolytica protein kinase, putative 0.0182 0.5015 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0064 0.1281 0.2413
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.1281 0.2555
Brugia malayi Cytochrome P450 family protein 0.004 0.0527 0.044
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0132 0.0041
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0182 0.5015 1
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.039 0.0778
Brugia malayi Protein kinase domain containing protein 0.0075 0.1645 0.1568
Echinococcus multilocularis dual specificity 0.0108 0.2678 0.5339
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0115 0.2914 0.2849
Brugia malayi Protein kinase domain containing protein 0.0182 0.5015 0.4969
Entamoeba histolytica protein kinase domain containing protein 0.0026 0.0094 0.0187
Loa Loa (eye worm) microfilarial chitinase 0.0071 0.1498 0.142
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0108 0.2678 0.525
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.039 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.039 0.0302
Echinococcus granulosus serine:threonine protein kinase haspin 0.0136 0.3567 0.7114
Plasmodium vivax serine/threonine kinase-1, putative 0.0075 0.1645 0.5501
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.2678 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.039 0.0778
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0108 0.2678 0.8551
Loa Loa (eye worm) hypothetical protein 0.0197 0.5501 0.546
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0075 0.1645 0.223
Plasmodium vivax hypothetical protein, conserved 0.0115 0.2914 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0136 0.3567 0.7114
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.039 0.0302
Plasmodium falciparum protein serine/threonine kinase-1 0.0075 0.1645 0.5501
Loa Loa (eye worm) hypothetical protein 0.0179 0.4921 0.4874
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0075 0.1645 0.1568
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.2678 0.5339
Echinococcus granulosus single minded 2 0.0043 0.0633 0.1262
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0026 0.0094 0.0003
Entamoeba histolytica protein kinase domain containing protein 0.0182 0.5015 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0136 0.3567 0.7114
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.039 0.0778
Brugia malayi nuclear hormone receptor 0.0036 0.039 0.0302
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0026 0.0091 0.0182
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0182 0.5015 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.039 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.039 0.0302
Brugia malayi GSG2 0.0136 0.3567 0.3508
Echinococcus granulosus lamin 0.0033 0.0287 0.0572
Echinococcus granulosus dual specificity 0.0108 0.2678 0.5339
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.039 0.0302
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.039 0.0778
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.039 0.0778
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.039 0.0302
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0026 0.0094 0.0187
Schistosoma mansoni serine/threonine kinase 0.0026 0.0094 0.0187
Onchocerca volvulus Putative endochitinase 0.0073 0.156 0.131
Schistosoma mansoni nuclear hormone receptor 0.0036 0.039 0.0778
Echinococcus granulosus lamin dm0 0.0033 0.0287 0.0572
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0132 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.039 0.0302
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0064 0.1281 0.2413
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.039 0.0778
Brugia malayi PAS domain containing protein 0.0059 0.1117 0.1035
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0075 0.1645 0.3153
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.1281 0.4595
Entamoeba histolytica protein kinase, putative 0.0182 0.5015 1
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0633 0.0547
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.039 0.0778
Entamoeba histolytica cell division protein kinase 2, putative 0.0026 0.0094 0.0187
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.039 0.0302
Loa Loa (eye worm) cuticular endochitinase 0.0073 0.156 0.1482
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0115 0.2914 0.5811
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.039 0.0778
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.039 0.0778
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.039 0.0302
Giardia lamblia Kinase, CMGC MAPK 0.0064 0.1281 0.4595
Echinococcus granulosus serine:threonine protein kinase NLK 0.0026 0.0094 0.0187
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0064 0.1281 0.1201
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.039 0.0302
Schistosoma mansoni serine/threonine protein kinase 0.0182 0.5015 1
Onchocerca volvulus 0.0043 0.0633 0.0356
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0064 0.1281 0.2413
Mycobacterium ulcerans chitinase/cellulase 0.0062 0.122 1
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.1281 0.4595
Loa Loa (eye worm) hypothetical protein 0.0115 0.2914 0.2849
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.039 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.039 0.0302
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0136 0.3567 0.7114
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.039 0.0778
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.039 0.0778
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0075 0.1645 0.3153
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.2678 1
Trichomonas vaginalis CMGC family protein kinase 0.0075 0.1645 0.6004
Loa Loa (eye worm) hypothetical protein 0.0033 0.0287 0.0197
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.039 0.0302
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0287 0.0197
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.1281 0.4595
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.039 0.0106
Brugia malayi Cell division protein kinase 2 0.0026 0.0094 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.039 0.0778
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0075 0.1645 0.3153
Echinococcus granulosus dual specificity 0.0108 0.2678 0.5339
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.039 0.0778
Schistosoma mansoni lamin 0.0033 0.0287 0.0572
Echinococcus granulosus FTZ F1 alpha 0.0036 0.039 0.0778
Loa Loa (eye worm) hypothetical protein 0.0036 0.039 0.0302
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0287 0.0197
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0064 0.1281 0.2413
Schistosoma mansoni hypothetical protein 0.0136 0.3567 0.7114
Schistosoma mansoni single-minded 0.0059 0.1117 0.2227
Loa Loa (eye worm) hypothetical protein 0.0072 0.1551 0.1474
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0182 0.5015 0.4969
Entamoeba histolytica chitinase, putative 0.0073 0.156 0.311
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0136 0.3567 0.7114
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0075 0.1645 0.3153
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0094 0.0187
Loa Loa (eye worm) chitinase I 0.0073 0.156 0.1482
Echinococcus granulosus dual specificity 0.0182 0.5015 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.039 0.0778
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0075 0.1645 0.3153
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.039 0.0302
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.2678 1
Giardia lamblia Kinase, CMGC DYRK 0.0108 0.2678 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.039 0.0778
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.1645 0.3281
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.039 0.0302
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0064 0.1281 0.2413
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0108 0.2678 0.261
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.039 0.0778
Entamoeba histolytica hypothetical protein 0.0182 0.5015 1
Brugia malayi intermediate filament protein 0.0033 0.0287 0.0197
Brugia malayi hypothetical protein 0.0136 0.3567 0.3508
Brugia malayi steroid hormone receptor 0.0036 0.039 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.039 0.0302
Echinococcus multilocularis mitogen activated protein kinase 0.0064 0.1281 0.2555
Brugia malayi endochitinase 0.0073 0.156 0.1482
Schistosoma mansoni hypothetical protein 0.0115 0.2914 0.5811
Schistosoma mansoni thyroid hormone receptor 0.0036 0.039 0.0778
Loa Loa (eye worm) hypothetical protein 0.0036 0.039 0.0302
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.039 0.0778
Mycobacterium ulcerans putative regulatory protein 0.0043 0.0633 0.4602
Onchocerca volvulus Putative endochitinase 0.0081 0.1838 0.1597
Echinococcus granulosus dual specificity protein kinase clk2 0.0075 0.1645 0.3281
Brugia malayi nuclear receptor NHR-88 0.0036 0.039 0.0302
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0064 0.1281 0.2413
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.039 0.0778
Loa Loa (eye worm) hypothetical protein 0.0032 0.0268 0.0178
Onchocerca volvulus 0.0115 0.2914 0.2705
Giardia lamblia Kinase, CMGC CLK 0.0075 0.1645 0.6004
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.039 0.0302
Loa Loa (eye worm) hypothetical protein 0.0036 0.039 0.0302
Onchocerca volvulus Putative endochitinase 0.0073 0.156 0.131
Schistosoma mansoni thyroid hormone receptor 0.0036 0.039 0.0778
Loa Loa (eye worm) hypothetical protein 0.0036 0.039 0.0302
Leishmania major protein kinase, putative 0.0075 0.1645 0.3153
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0064 0.1281 0.2413
Echinococcus multilocularis 0.0072 0.1551 0.3094
Schistosoma mansoni lamin 0.0033 0.0287 0.0572
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.5017 0.4971
Brugia malayi hypoxia-induced factor 1 0.0182 0.5017 0.4971
Echinococcus granulosus cyclin dependent kinase 9 0.0026 0.0094 0.0187
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.039 0.0778
Echinococcus granulosus hypothetical protein 0.0072 0.1551 0.3094
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.039 0.0778
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.2678 0.5339
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.039 0.0302
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0132 0.0077
Brugia malayi Cytochrome P450 family protein 0.0028 0.0132 0.0041
Loa Loa (eye worm) hypothetical protein 0.0036 0.039 0.0302
Echinococcus granulosus mitogen activated protein kinase 0.0064 0.1281 0.2555
Toxoplasma gondii hypothetical protein 0.0115 0.2914 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.039 0.0302
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0026 0.0094 0.0003
Echinococcus multilocularis dual specificity protein kinase clk2 0.0075 0.1645 0.3281
Brugia malayi Cytochrome P450 family protein 0.0028 0.0132 0.0041
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0287 0.0197
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0026 0.0094 0.0187
Echinococcus multilocularis musashi 0.0033 0.0287 0.0572
Entamoeba histolytica protein kinase, putative 0.0108 0.2678 0.5339
Brugia malayi endochitinase 0.0081 0.1838 0.1763
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.039 0.0302
Trichomonas vaginalis CMGC family protein kinase 0.0108 0.2678 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) = 7.943282347 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) = 19.95262315 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) = 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
AC50 (functional) = 25.11886432 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
Potency (functional) = 0.3548 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 (functional) = 0.631 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) = 0.8913 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 (ADMET) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 19.9526 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 (ADMET) = 25.1189 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 (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) 89.1251 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.
 
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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