Detailed information for compound 48331

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.229 | Formula: C11H14F2N5O7P
  • H donors: 5 H acceptors: 8 LogP: -2.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(O)c2c(n1)n(cn2)[C@@H]1OC(C(C1O)O)COP(=O)(C(F)F)O
  • InChi: 1S/C11H14F2N5O7P/c12-10(13)26(22,23)24-1-3-5(19)6(20)9(25-3)18-2-15-4-7(18)16-11(14)17-8(4)21/h2-3,5-6,9-10,19-20H,1H2,(H,22,23)(H3,14,16,17,21)/t3?,5?,6?,9-/m1/s1
  • InChiKey: XVLNYMSWVRTVNF-NQQZTJEZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0062 0.0647 0.0854
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0062 0.0647 0.2305
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0062 0.0647 0.067
Brugia malayi p70 ribosomal S6 kinase beta 0.0038 0.0208 0.0272
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0062 0.0647 0.2305
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0131 0.0169
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.0647 0.2305
Schistosoma mansoni atypical protein kinase C 0.046 0.7942 0.7941
Loa Loa (eye worm) cytochrome P450 family protein 0.0108 0.1493 0.1977
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0108 0.1493 0.6677
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0062 0.0647 0.253
Trypanosoma brucei unspecified product 0.0027 0.0008 0.0014
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0062 0.0647 0.0869
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0108 0.1493 0.1768
Trypanosoma brucei rac serine-threonine kinase, putative 0.0038 0.0208 0.0732
Brugia malayi Protein kinase domain containing protein 0.0028 0.0019 0.002
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0131 0.0457
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0108 0.1493 0.6677
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0108 0.1493 0.1768
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0282 0.0997
Loa Loa (eye worm) hypothetical protein 0.0039 0.0233 0.0304
Echinococcus multilocularis lysosomal alpha glucosidase 0.019 0.2993 0.402
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.019 0.2993 0.3968
Trypanosoma cruzi cytochrome P450, putative 0.0108 0.1493 0.5338
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0108 0.1493 0.5338
Loa Loa (eye worm) cytochrome P450 0.0108 0.1493 0.1977
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0028 0.0019 0.002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.4957 0.5667
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Onchocerca volvulus 0.011 0.1524 0.1759
Brugia malayi Protein kinase domain containing protein 0.0038 0.0208 0.0272
Brugia malayi Cytochrome P450 family protein 0.0108 0.1493 0.1977
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0108 0.1493 0.6677
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0038 0.0208 0.028
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0108 0.1493 0.6677
Toxoplasma gondii AGC kinase 0.0038 0.0208 0.0735
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0131 0.0454
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0108 0.1493 0.5338
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0108 0.1493 0.1768
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0108 0.1493 0.1768
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0062 0.0647 1
Onchocerca volvulus 0.0063 0.0661 0.076
Leishmania major DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.4957 0.5667
Echinococcus multilocularis protein kinase c iota type 0.0433 0.7447 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0062 0.0647 0.1069
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0108 0.1493 0.6677
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.038 0.0377
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0233 0.0499
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.4957 0.5667
Trichomonas vaginalis glutathione reductase, putative 0.0062 0.0647 0.0606
Plasmodium falciparum thioredoxin reductase 0.0179 0.2793 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.038 0.0377
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0454 0.7835 1
Schistosoma mansoni hypothetical protein 0.0108 0.1493 0.149
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0282 0.0563
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0618 0.0826
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0065 0.0703 0.0944
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0062 0.0647 0.2305
Echinococcus granulosus protein kinase C gamma type 0.0038 0.0208 0.0275
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0408 0.6999 0.8915
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0038 0.0208 0.0275
Entamoeba histolytica protein kinase, putative 0.0038 0.0208 0.0414
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Echinococcus granulosus Protein kinase C brain isozyme 0.0065 0.0703 0.094
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0065 0.0703 0.0928
Brugia malayi Hr1 repeat family protein 0.0038 0.0208 0.0272
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0108 0.1493 0.1768
Echinococcus granulosus serine:threonine protein kinase N2 0.0038 0.0208 0.0275
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.0647 0.2305
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0037 0.0193 0.0073
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.0233 0.0462
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0408 0.6999 0.8915
Echinococcus multilocularis unc 13 (munc13) 0.0027 0.0004 0.0005
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0233 0.0304
Loa Loa (eye worm) hypothetical protein 0.0034 0.0131 0.0169
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0233 0.0819
Onchocerca volvulus 0.0498 0.8647 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.038 0.0377
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0108 0.1493 0.1768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.038 0.051
Brugia malayi protein kinase C3,putative 0.0395 0.6763 0.8971
Entamoeba histolytica protein kinase, putative 0.0038 0.0208 0.0414
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0297 0.4957 1
Echinococcus multilocularis 0.0108 0.1493 0.2005
Trypanosoma cruzi cytochrome P450, putative 0.0108 0.1493 0.5338
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0108 0.1493 0.1768
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0038 0.0208 0.028
Schistosoma mansoni pyruvate kinase 0.0034 0.0131 0.0127
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Schistosoma mansoni alpha glucosidase 0.0042 0.0282 0.0279
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0062 0.0647 0.5
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Echinococcus granulosus dna polymerase kappa 0.0039 0.0233 0.0308
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0108 0.1493 0.1768
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0108 0.1493 0.6677
Entamoeba histolytica protein kinase, putative 0.0038 0.0208 0.0414
Trypanosoma brucei unspecified product 0.0027 0.0008 0.0014
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0108 0.1493 0.6677
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0703 0.07
Trypanosoma brucei DNA polymerase eta, putative 0.0039 0.0233 0.0819
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0062 0.0647 0.1939
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.4957 0.5667
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0062 0.0647 0.2305
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.0282 0.0379
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0233 0.0819
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0038 0.0208 0.0275
Brugia malayi Glycosyl hydrolases family 31 protein 0.019 0.2993 0.3968
Trypanosoma cruzi trypanothione reductase, putative 0.0062 0.0647 0.2305
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0108 0.1493 0.1768
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0062 0.0647 0.0644
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0131 0.0169
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0233 0.0308
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0108 0.1493 0.6677
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0108 0.1493 0.6677
Brugia malayi Pre-SET motif family protein 0.0438 0.7538 1
Toxoplasma gondii NADPH-glutathione reductase 0.0062 0.0647 0.2307
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0282 0.0178
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.2171 0.2648
Brugia malayi Protein kinase domain containing protein 0.0038 0.0208 0.0272
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.4957 0.5667
Schistosoma mansoni serine/threonine protein kinase 0.0028 0.0019 0.0015
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0062 0.0647 0.2305
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0131 0.0147
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0282 0.0178
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0233 0.0819
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0028 0.0019 0.002
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0108 0.1493 0.5338
Loa Loa (eye worm) thioredoxin reductase 0.0179 0.2793 0.3702
Echinococcus multilocularis Diacylglycerol kinase theta 0.0027 0.0004 0.0005
Plasmodium falciparum glutathione reductase 0.0179 0.2793 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.0282 0.037
Brugia malayi protein kinase C II. 0.0065 0.0703 0.0928
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0408 0.6999 0.8915
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0062 0.0647 0.1939
Trypanosoma brucei cytochrome P450, putative 0.0108 0.1493 0.5338
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Echinococcus multilocularis raf serine:threonine protein kinase 0.0027 0.0004 0.0005
Echinococcus multilocularis Rac GTPase activating protein 1 0.0027 0.0004 0.0005
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0661 0.0887
Brugia malayi Cytochrome P450 family protein 0.0108 0.1493 0.1977
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0208 0.0205
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0062 0.0647 0.2305
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0282 0.0178
Giardia lamblia Fructose-bisphosphate aldolase 0.0297 0.4957 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0454 0.7835 1
Echinococcus granulosus geminin 0.0172 0.2668 0.358
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0062 0.0647 0.1939
Echinococcus multilocularis serine threonine protein kinase 0.0038 0.0208 0.028
Trypanosoma brucei trypanothione reductase 0.0179 0.2793 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0661 0.0657
Trichomonas vaginalis sucrase-isomaltase, putative 0.0042 0.0282 0.0178
Schistosoma mansoni pyruvate kinase 0.0034 0.0131 0.0127
Echinococcus multilocularis lysosomal alpha glucosidase 0.019 0.2993 0.402
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0282 0.0997
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0108 0.1493 0.1768
Brugia malayi Partitioning defective-6 homolog alpha 0.0027 0.0004 0.0001
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0661 0.0883
Loa Loa (eye worm) glutathione reductase 0.0179 0.2793 0.3702
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.038 0.05
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0233 0.0229
Echinococcus granulosus pyruvate kinase 0.0034 0.0131 0.0171
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0108 0.1493 0.6677
Leishmania major cytochrome p450-like protein 0.0108 0.1493 0.5338
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0661 0.0657
Mycobacterium leprae Conserved hypothetical protein 0.0108 0.1493 0.1768
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0008 0.0014
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0661 0.0657
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0062 0.0647 0.2305
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.0647 0.2305
Leishmania major pyruvate kinase 0.0034 0.0131 0.0454
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0108 0.1493 0.6677
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Schistosoma mansoni serine/threonine kinase 0.0038 0.0208 0.0205
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0062 0.0647 0.2305
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0131 0.0147
Plasmodium vivax glutathione reductase, putative 0.0179 0.2793 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0038 0.0208 0.028
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0108 0.1493 0.5338
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0297 0.4957 1
Echinococcus multilocularis pyruvate kinase 0.0034 0.0131 0.0176
Echinococcus granulosus protein TFG 0.0027 0.0004 0.0001
Leishmania major DNA polymerase eta, putative 0.0039 0.0233 0.0819
Trypanosoma cruzi trypanothione reductase, putative 0.0179 0.2793 1
Echinococcus multilocularis partitioning defective protein 6 0.0027 0.0004 0.0006
Brugia malayi Cytochrome P450 family protein 0.0108 0.1493 0.1977
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0108 0.1493 0.1768
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.0233 0.0119
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0108 0.1493 0.6677
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0233 0.0304
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0108 0.1493 0.6677
Echinococcus multilocularis protein kinase c eta type 0.0027 0.0004 0.0005
Loa Loa (eye worm) AGC/AKT protein kinase 0.0038 0.0208 0.0272
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0282 0.0178
Mycobacterium tuberculosis Probable oxidoreductase 0.0454 0.7835 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0408 0.6999 0.8915
Loa Loa (eye worm) hypothetical protein 0.0038 0.0208 0.0272
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.0647 0.2305
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0208 0.0205
Toxoplasma gondii thioredoxin reductase 0.0179 0.2793 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0108 0.1493 0.6677
Trichomonas vaginalis mercuric reductase, putative 0.0062 0.0647 0.0606
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0038 0.0208 0.0272
Brugia malayi cytochrome P450 0.0108 0.1493 0.1977
Schistosoma mansoni cell polarity protein 0.0027 0.0004 0.0001
Schistosoma mansoni hypothetical protein 0.0172 0.2668 0.2665
Trichomonas vaginalis maltase-glucoamylase, putative 0.0042 0.0282 0.0178
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0028 0.0019 0.002
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0282 0.0178
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0454 0.7835 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0408 0.6999 0.8915
Leishmania major trypanothione reductase 0.0179 0.2793 1
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0422 0.7258 0.9628
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.038 0.05
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0062 0.0647 0.0864
Loa Loa (eye worm) cytochrome P450 family protein 0.0108 0.1493 0.1977
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0661 0.0657
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.2171 0.2648
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0233 0.0132
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.0647 0.2305
Echinococcus granulosus dna polymerase eta 0.0039 0.0233 0.0308
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0131 0.0169
Treponema pallidum fructose-bisphosphate aldolase 0.0297 0.4957 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0062 0.0647 0.2305
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0062 0.0647 0.5
Onchocerca volvulus 0.0027 0.0004 0.0001
Onchocerca volvulus 0.0028 0.0019 0.0018
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0233 0.0313
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0108 0.1493 0.1768
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0131 0.0454
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.038 0.0506
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.4957 0.5667
Leishmania major alpha glucosidase II subunit, putative 0.0042 0.0282 0.0997
Echinococcus multilocularis geminin 0.0172 0.2668 0.3583
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0028 0.0019 0.0025
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0108 0.1493 0.6677
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0233 0.0229
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Plasmodium vivax SET domain protein, putative 0.0063 0.0661 0.199
Schistosoma mansoni serine/threonine protein kinase 0.0028 0.0019 0.0015
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0108 0.1493 0.1768
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0131 0.0454
Leishmania major cytochrome p450-like protein 0.0108 0.1493 0.5338
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0179 0.2793 0.3455
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.0233 0.0119
Echinococcus granulosus lysosomal alpha glucosidase 0.019 0.2993 0.4017
Trypanosoma brucei unspecified product 0.0039 0.0233 0.0819
Brugia malayi C1-like domain containing protein 0.0028 0.0019 0.002
Loa Loa (eye worm) PAR-6 protein 0.0027 0.0004 0.0001
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0108 0.1493 0.1768
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0062 0.0647 0.253
Echinococcus multilocularis thioredoxin glutathione reductase 0.018 0.2812 0.3776
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0062 0.0647 0.2305
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0233 0.0819
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0038 0.0208 0.0272
Loa Loa (eye worm) AGC/PKN protein kinase 0.0038 0.0208 0.0272
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0108 0.1493 0.1768
Brugia malayi Pre-SET motif family protein 0.0063 0.0661 0.0872
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.038 0.051
Onchocerca volvulus Protein TFG homolog 0.0027 0.0004 0.0001
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0233 0.0313
Echinococcus multilocularis myotubularin protein 13 0.0027 0.0004 0.0005
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0038 0.0208 0.0275
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.2171 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.0282 0.0999
Echinococcus multilocularis protein kinase c epsilon type 0.0065 0.0703 0.0944
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0703 0.07
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0027 0.0004 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Loa Loa (eye worm) AGC/NDR protein kinase 0.0038 0.0208 0.0272
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0108 0.1493 0.1768
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0233 0.0819
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0038 0.0208 0.0272
Loa Loa (eye worm) CYP4Cod1 0.0108 0.1493 0.1977
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0108 0.1493 0.6677
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0131 0.0169
Echinococcus granulosus pyruvate kinase 0.0034 0.0131 0.0171
Schistosoma mansoni protein kinase C mu 0.0028 0.0019 0.0015
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Mycobacterium tuberculosis Probable reductase 0.0408 0.6999 0.8915
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.038 0.0506
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0703 0.07
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0108 0.1493 0.1768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.4957 0.5667
Entamoeba histolytica protein kinase, putative 0.0038 0.0208 0.0414
Loa Loa (eye worm) cytochrome P450 family protein 0.0108 0.1493 0.1977
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Echinococcus granulosus NDR protein kinase 0.0038 0.0208 0.0275
Schistosoma mansoni cytochrome P450 0.0108 0.1493 0.149
Echinococcus multilocularis pyruvate kinase 0.0034 0.0131 0.0176
Echinococcus granulosus thioredoxin glutathione reductase 0.018 0.2812 0.3773
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.4957 0.5667
Brugia malayi Protein kinase c protein 2 0.0028 0.0019 0.002
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0233 0.0132
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0131 0.0169
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0282 0.0178
Plasmodium falciparum glutathione reductase 0.0062 0.0647 0.1939
Giardia lamblia DINP protein human, muc B family 0.0039 0.0233 0.0211
Echinococcus multilocularis serine:threonine protein kinase 38 0.0038 0.0208 0.028
Echinococcus multilocularis dna polymerase eta 0.0039 0.0233 0.0313
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0131 0.0454
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0062 0.0647 0.253
Loa Loa (eye worm) hypothetical protein 0.0063 0.0661 0.0872
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0046 0.0345 0.0453
Plasmodium vivax thioredoxin reductase, putative 0.0179 0.2793 1
Echinococcus multilocularis protein TFG 0.0027 0.0004 0.0006
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0108 0.1493 0.6677
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0028 0.0019 0.0021
Mycobacterium leprae putative cytochrome p450 0.0108 0.1493 0.1768
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0008 0.0014
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0408 0.6999 0.8915
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0233 0.0819
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0008 0.0014
Entamoeba histolytica hypothetical protein, conserved 0.0027 0.0004 0.0001
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0282 0.0178
Toxoplasma gondii cytochrome p450 superfamily protein 0.0108 0.1493 0.534
Trichomonas vaginalis set domain proteins, putative 0.0498 0.8647 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0282 0.0563
Schistosoma mansoni alpha-glucosidase 0.0164 0.2508 0.2506
Brugia malayi Protein kinase domain containing protein 0.0038 0.0208 0.0272
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0108 0.1493 0.6677
Echinococcus granulosus cytochrome P450 2K1 0.0108 0.1493 0.2001
Schistosoma mansoni alpha-glucosidase 0.0164 0.2508 0.2506
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.0647 0.2305
Schistosoma mansoni hypothetical protein 0.0172 0.2668 0.2665
Leishmania major pyruvate kinase 0.0034 0.0131 0.0454
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0282 0.037
Leishmania major cytochrome p450-like protein 0.0108 0.1493 0.5338
Echinococcus granulosus protein kinase c epsilon type 0.0065 0.0703 0.094
Trypanosoma brucei glucosidase, putative 0.0042 0.0282 0.0997
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0108 0.1493 0.6677
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0027 0.0004 0.0005
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0108 0.1493 0.5338
Brugia malayi Cytochrome P450 family protein 0.0108 0.1493 0.1977
Echinococcus multilocularis N chimaerin 0.0027 0.0004 0.0005
Echinococcus multilocularis serine:threonine protein kinase N2 0.0038 0.0208 0.028
Schistosoma mansoni DNA polymerase eta 0.0039 0.0233 0.0229
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0108 0.1493 0.1768
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0038 0.0208 0.0272
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0046 0.0345 0.0453
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0661 0.2356
Plasmodium falciparum thioredoxin reductase 0.0062 0.0647 0.1939
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0131 0.0147
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0108 0.1493 0.1768
Brugia malayi Protein kinase domain containing protein 0.0028 0.0019 0.0021
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0438 0.7538 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0661 0.0887
Echinococcus multilocularis serine:threonine protein kinase N2 0.0038 0.0208 0.028
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0062 0.0647 0.2307
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0208 0.0205
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0062 0.0647 0.1939
Trichomonas vaginalis AGC family protein kinase 0.0038 0.0208 0.0091
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0233 0.0499
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0233 0.0304
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0108 0.1493 0.6677
Brugia malayi glutathione reductase 0.0179 0.2793 0.3702
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.0282 0.0374
Loa Loa (eye worm) hypothetical protein 0.0027 0.0004 0.0001
Loa Loa (eye worm) zinc finger protein 0.0027 0.0004 0.0001
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0108 0.1493 0.1768
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0108 0.1493 0.6677
Echinococcus granulosus protein kinase c iota type 0.0433 0.7447 1
Brugia malayi Thioredoxin reductase 0.0179 0.2793 0.3702
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0208 0.0205
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0233 0.0819

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) 0 ug ml-1 The compound were evaluated as inhibitor of recombinant HIV-l reverse transcriptase; Not tested ChEMBL. No reference
IC50 (functional) = 150 ug ml-1 The compound was evaluated as inhibitor of avian myeloblastosis virus (AMV) reverse transcriptase 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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