Detailed information for compound 1593976

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.374 | Formula: C17H12FN5S
  • H donors: 1 H acceptors: 2 LogP: 3.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Sc1nnc(n1/N=C/c1c[nH]c2c1cccc2)c1ccccc1F
  • InChi: 1S/C17H12FN5S/c18-14-7-3-1-6-13(14)16-21-22-17(24)23(16)20-10-11-9-19-15-8-4-2-5-12(11)15/h1-10,19H,(H,22,24)/b20-10+
  • InChiKey: IXOTZSGJEWBTNQ-KEBDBYFISA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Leishmania mexicana pyruvate kinase, putative Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, putative 498 aa 515 aa 27.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis AGC family protein kinase 0.009 0.0553 0.1699
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.2036 0.6372
Mycobacterium tuberculosis Possible oxidoreductase 0.0081 0.0472 0.0495
Brugia malayi hypothetical protein 0.0494 0.4148 1
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Giardia lamblia Kinase, CAMK CAMKL 0.009 0.0553 0.1442
Echinococcus granulosus serine:threonine protein kinase haspin 0.0494 0.4148 1
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus multilocularis pyruvate kinase 0.004 0.0108 0.023
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0108 0.03
Trypanosoma brucei protein kinase, putative 0.009 0.0553 0.1442
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0085 0.051 0.1201
Trichomonas vaginalis AGC family protein kinase 0.009 0.0553 0.1699
Echinococcus granulosus cyclin dependent kinase 9 0.009 0.0553 0.1304
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.009 0.0553 0.1319
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.2036 0.626
Trichomonas vaginalis AGC family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus multilocularis protoporphyrinogen oxidase 0.0081 0.0472 0.1109
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0472 0.5039
Brugia malayi endochitinase 0.0089 0.0538 0.1147
Giardia lamblia Kinase, CAMK CAMKL 0.009 0.0553 0.1442
Echinococcus multilocularis dual specificity 0.0211 0.163 0.3911
Schistosoma mansoni pyruvate kinase 0.004 0.0108 0.0092
Echinococcus granulosus dual specificity 0.0386 0.3187 0.7677
Echinococcus multilocularis cyclin dependent kinase 9 0.009 0.0553 0.1304
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.3187 1
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus multilocularis serine:threonine protein kinase NLK 0.009 0.0553 0.1304
Echinococcus multilocularis dual specificity 0.0386 0.3187 0.7677
Loa Loa (eye worm) hypothetical protein 0.0182 0.1374 0.3278
Loa Loa (eye worm) pyruvate kinase 0.004 0.0108 0.0259
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trypanosoma cruzi UDP-galactopyranose mutase 0.0081 0.0472 0.1445
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0494 0.4148 1
Echinococcus granulosus pyruvate kinase 0.004 0.0108 0.023
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Loa Loa (eye worm) hypothetical protein 0.0126 0.0867 0.2068
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0211 0.163 0.5095
Trichomonas vaginalis AGC family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis G protein-coupled receptor kinase, putative 0.009 0.0553 0.1699
Giardia lamblia Kinase, CMGC DYRK 0.0386 0.3187 1
Mycobacterium ulcerans dehydrogenase 0.0081 0.0472 0.0459
Schistosoma mansoni serine/threonine protein kinase 0.0211 0.163 0.3825
Trichomonas vaginalis CMGC family protein kinase 0.009 0.0553 0.1699
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0108 0.0092
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Entamoeba histolytica cell division protein kinase 2, putative 0.009 0.0553 0.1734
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0081 0.0472 0.4792
Echinococcus granulosus pyruvate kinase 0.004 0.0108 0.023
Giardia lamblia Kinase, PLK 0.0118 0.0804 0.226
Trichomonas vaginalis AGC family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis CMGC family protein kinase 0.009 0.0553 0.1699
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.009 0.0553 0.6053
Plasmodium vivax hypothetical protein, conserved 0.0126 0.0867 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0472 0.1126
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus granulosus serine:threonine protein kinase NLK 0.009 0.0553 0.1304
Leishmania major chitinase 0.0079 0.0453 0.1387
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Loa Loa (eye worm) hypothetical protein 0.0036 0.0071 0.0169
Brugia malayi SWIRM domain containing protein 0.0081 0.0472 0.0984
Entamoeba histolytica hypothetical protein 0.0211 0.163 0.5115
Loa Loa (eye worm) hypothetical protein 0.0081 0.0472 0.1126
Brugia malayi cyclin-dependent kinase 7 homolog 0.009 0.0553 0.1182
Chlamydia trachomatis protoporphyrinogen oxidase 0.0081 0.0472 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0081 0.0472 0.0984
Entamoeba histolytica serine/threonine protein kinase, putative 0.0118 0.0804 0.2523
Leishmania major serine/threonine kinase-like protein, putative 0.009 0.0553 0.1699
Onchocerca volvulus Putative endochitinase 0.0089 0.0538 0.2101
Echinococcus granulosus Cell division cycle 2 protein kinase 0.009 0.0553 0.1304
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.009 0.0553 0.1304
Toxoplasma gondii histone lysine-specific demethylase 0.0081 0.0472 0.1287
Onchocerca volvulus 0.0126 0.0867 0.3578
Onchocerca volvulus 0.0126 0.0867 0.3578
Entamoeba histolytica protein kinase domain containing protein 0.0211 0.163 0.5115
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.3187 1
Onchocerca volvulus Putative endochitinase 0.0079 0.0453 0.172
Mycobacterium tuberculosis Conserved hypothetical protein 0.0081 0.0472 0.0495
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0071 0.0139
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0386 0.3187 0.7606
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0108 0.0103
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.009 0.0553 0.1699
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1152 1 1
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0118 0.0804 0.1913
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Loa Loa (eye worm) chitinase I 0.0079 0.0453 0.1082
Trypanosoma brucei polo-like protein kinase 0.0118 0.0804 0.226
Loa Loa (eye worm) hypothetical protein 0.0081 0.0472 0.1126
Brugia malayi Pre-SET motif family protein 0.0251 0.1986 0.4698
Trypanosoma cruzi UDP-galactopyranose mutase 0.0081 0.0472 0.1445
Onchocerca volvulus Putative endochitinase 0.0079 0.0453 0.172
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Loa Loa (eye worm) microfilarial chitinase 0.0077 0.0435 0.1037
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0804 0.2492
Toxoplasma gondii hypothetical protein 0.0126 0.0867 0.2554
Mycobacterium ulcerans chitinase/cellulase 0.0067 0.035 0.0337
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Brugia malayi Cell division protein kinase 2 0.009 0.0553 0.1182
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.009 0.0553 0.1442
Trichomonas vaginalis CMGC family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis protein kinase atmrk1, putative 0.009 0.0553 0.1699
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0081 0.0472 0.0984
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0081 0.0472 1
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Entamoeba histolytica hypothetical protein 0.0085 0.051 0.16
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0126 0.0867 0.2064
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0804 0.2492
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0108 0.0121
Trichomonas vaginalis CAMK family protein kinase 0.0204 0.1564 0.4886
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0804 0.2492
Entamoeba histolytica protein kinase, putative 0.0211 0.163 0.5115
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0059 0.0111
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0386 0.3187 1
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0386 0.3187 1
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0081 0.0472 0.1109
Brugia malayi GSG2 0.0494 0.4148 1
Mycobacterium tuberculosis Possible chitinase 0.0067 0.035 0.0363
Trichomonas vaginalis AGC family protein kinase 0.009 0.0553 0.1699
Brugia malayi Protein kinase domain containing protein 0.0211 0.163 0.3825
Echinococcus granulosus lysine specific histone demethylase 1A 0.0081 0.0472 0.1109
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis CMGC family protein kinase 0.009 0.0553 0.1699
Mycobacterium ulcerans oxidoreductase 0.0081 0.0472 0.0459
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0386 0.3187 0.7644
Onchocerca volvulus Putative endochitinase 0.0089 0.0538 0.2101
Echinococcus granulosus lysine specific histone demethylase 1A 0.0081 0.0472 0.1109
Loa Loa (eye worm) hypothetical protein 0.0081 0.0472 0.1126
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0804 0.2492
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Brugia malayi endochitinase 0.0079 0.0453 0.0939
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis serine/threonine kinase, putative 0.009 0.0553 0.1699
Echinococcus multilocularis 0.0081 0.0472 0.1109
Onchocerca volvulus Serine\/threonine kinase homolog 0.0118 0.0804 0.3297
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0211 0.163 0.3891
Brugia malayi amine oxidase, flavin-containing family protein 0.0081 0.0472 0.0984
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0118 0.0804 0.2492
Echinococcus multilocularis dual specificity 0.0386 0.3187 0.7677
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.009 0.0553 0.1699
Schistosoma mansoni serine/threonine kinase 0.009 0.0553 0.1182
Loa Loa (eye worm) pyruvate kinase 0.004 0.0108 0.0259
Schistosoma mansoni kinase 0.0062 0.0305 0.0575
Onchocerca volvulus Putative endochitinase 0.0089 0.0538 0.2101
Schistosoma mansoni protein kinase 0.009 0.0553 0.1182
Schistosoma mansoni amine oxidase 0.0081 0.0472 0.0984
Entamoeba histolytica protein kinase domain containing protein 0.009 0.0553 0.1734
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0118 0.0804 0.1913
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Schistosoma mansoni amine oxidase 0.0081 0.0472 0.0984
Trypanosoma cruzi polo-like protein kinase, putative 0.0118 0.0804 0.2492
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0118 0.0804 0.1919
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0108 0.0169
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus granulosus mitogen activated protein kinase 15 0.009 0.0553 0.1304
Mycobacterium ulcerans monoamine oxidase 0.0081 0.0472 0.0459
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus granulosus dual specificity 0.0386 0.3187 0.7677
Onchocerca volvulus 0.0286 0.2295 1
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0804 0.2492
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0108 0.03
Schistosoma mansoni hypothetical protein 0.0085 0.051 0.1077
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.009 0.0553 0.1699
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0126 0.0867 0.1952
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Mycobacterium ulcerans pyruvate kinase 0.004 0.0108 0.0095
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.2036 0.6372
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis CAMK family protein kinase 0.0118 0.0804 0.2492
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.009 0.0553 0.6053
Plasmodium falciparum protoporphyrinogen oxidase 0.0081 0.0472 0.4792
Brugia malayi Endochitinase 0.0089 0.0538 0.1147
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0211 0.163 0.4943
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0081 0.0472 0.1287
Echinococcus granulosus dual specificity 0.0386 0.3187 0.7677
Leishmania major UDP-galactopyranose mutase 0.0081 0.0472 0.1445
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0081 0.0472 0.5039
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0494 0.4148 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0211 0.163 0.5095
Loa Loa (eye worm) hypothetical protein 0.0126 0.0867 0.2068
Mycobacterium ulcerans chitinase/cellulase 0.0067 0.035 0.0337
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0386 0.3187 1
Trichomonas vaginalis CAMK family protein kinase 0.0061 0.0292 0.0877
Loa Loa (eye worm) hypothetical protein 0.004 0.0108 0.0259
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.009 0.0553 0.1319
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus multilocularis pyruvate kinase 0.004 0.0108 0.023
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Loa Loa (eye worm) hypothetical protein 0.0067 0.035 0.0835
Loa Loa (eye worm) haspin protein kinase 0.0494 0.4148 0.9898
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0126 0.0867 0.2064
Onchocerca volvulus 0.0182 0.1374 0.5857
Loa Loa (eye worm) hypothetical protein 0.0207 0.1588 0.3789
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Entamoeba histolytica protein kinase, putative 0.0211 0.163 0.5115
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0071 0.0139
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.3187 1
Brugia malayi hypothetical protein 0.0081 0.0472 0.0984
Plasmodium falciparum MO15-related protein kinase 0.009 0.0553 0.5856
Schistosoma mansoni hypothetical protein 0.0126 0.0867 0.1952
Leishmania major hypothetical protein, conserved 0.0257 0.2036 0.6372
Plasmodium falciparum conserved protein, unknown function 0.0126 0.0867 1
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.3187 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1986 0.474
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0472 0.5039
Schistosoma mansoni serine/threonine protein kinase 0.009 0.0553 0.1182
Loa Loa (eye worm) hypothetical protein 0.0207 0.1588 0.3789
Entamoeba histolytica protein kinase, putative 0.0386 0.3187 1
Giardia lamblia Kinase, CAMK CAMKL 0.009 0.0553 0.1442
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0081 0.0472 0.4792
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus multilocularis hypothetical protein 0.0085 0.051 0.1201
Schistosoma mansoni pyruvate kinase 0.004 0.0108 0.0092
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0081 0.0472 0.5039
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0386 0.3187 1
Leishmania major pyruvate kinase 0.004 0.0108 0.03
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Onchocerca volvulus 0.0081 0.0472 0.1803
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0108 0.0169
Loa Loa (eye worm) haspin protein kinase 0.0494 0.4148 0.9898
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1071 0.9278 1
Schistosoma mansoni hypothetical protein 0.0494 0.4148 1
Brugia malayi hypothetical protein 0.0182 0.1374 0.3196
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0071 0.0139
Echinococcus multilocularis dual specificity 0.0386 0.3187 0.7677
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis AGC family protein kinase 0.009 0.0553 0.1699
Plasmodium vivax pyruvate kinase, putative 0.004 0.0108 0.0473
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Echinococcus granulosus serine:threonine protein kinase haspin 0.0494 0.4148 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0108 0.03
Loa Loa (eye worm) cuticular endochitinase 0.0079 0.0453 0.1082
Echinococcus granulosus serine:threonine protein kinase haspin 0.0494 0.4148 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0211 0.163 0.5095
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2295 0.719
Schistosoma mansoni serine/threonine protein kinase 0.0118 0.0804 0.1799
Loa Loa (eye worm) haspin protein kinase 0.0499 0.419 1
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.3187 1
Schistosoma mansoni serine/threonine protein kinase 0.0386 0.3187 0.7644
Echinococcus granulosus dual specificity 0.0211 0.163 0.3911
Brugia malayi Protein kinase domain containing protein 0.009 0.0553 0.1182
Entamoeba histolytica protein kinase domain containing protein 0.0386 0.3187 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0108 0.03
Trypanosoma cruzi polo-like protein kinase, putative 0.0118 0.0804 0.2492
Trypanosoma cruzi serine/threonine protein kinase, putative 0.009 0.0553 0.1699
Brugia malayi serine/threonine-protein kinase plk-2 0.0118 0.0804 0.1799
Trichomonas vaginalis CAMK family protein kinase 0.0061 0.0292 0.0877
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0108 0.0092
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.3187 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0108 0.0169
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0081 0.0472 0.0459
Loa Loa (eye worm) hypothetical protein 0.0081 0.0472 0.1126
Leishmania major pyruvate kinase 0.004 0.0108 0.03
Entamoeba histolytica chitinase, putative 0.0079 0.0453 0.1423
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Trichomonas vaginalis CAMK family protein kinase 0.009 0.0553 0.1699
Loa Loa (eye worm) hypothetical protein 0.0081 0.0472 0.1126
Loa Loa (eye worm) pyruvate kinase 0.004 0.0108 0.0259
Echinococcus multilocularis pyruvate kinase 0.0032 0.0033 0.0048

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 10.224 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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