Detailed information for compound 142666

Basic information

Technical information
  • TDR Targets ID: 142666
  • Name: [(5E)-1-[hydroxy(hydroxymethyl)phosphoryl]-6, 10-dimethylundeca-5,9-dienyl]phosphonic acid
  • MW: 354.316 | Formula: C14H28O6P2
  • H donors: 4 H acceptors: 6 LogP: 1.17 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCP(=O)(C(P(=O)(O)O)CCC/C=C(/CCC=C(C)C)\C)O
  • InChi: 1S/C14H28O6P2/c1-12(2)7-6-9-13(3)8-4-5-10-14(22(18,19)20)21(16,17)11-15/h7-8,14-15H,4-6,9-11H2,1-3H3,(H,16,17)(H2,18,19,20)/b13-8+
  • InChiKey: MOUIHKXMHOTURX-MDWZMJQESA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(5E)-1-[hydroxy(hydroxymethyl)phosphoryl]-6,10-dimethyl-undeca-5,9-dienyl]phosphonic acid
  • [(5E)-1-[hydroxy(methylol)phosphoryl]-6,10-dimethyl-undeca-5,9-dienyl]phosphonic acid
  • [(5E)-1-(hydroxy-(hydroxymethyl)phosphoryl)-6,10-dimethylundeca-5,9-dienyl]phosphonic acid
  • [(5E)-1-(hydroxy-(hydroxymethyl)phosphoryl)-6,10-dimethyl-undeca-5,9-dienyl]phosphonic acid
  • [(5E)-1-(hydroxy-methylol-phosphoryl)-6,10-dimethyl-undeca-5,9-dienyl]phosphonic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Squalene synthetase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense farnesyltransferase, putative,squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania donovani farnesyltransferase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Candida albicans squalene synthase similar to S. cerevisiae ERG9 (YHR190W) involved in ergosterol biosynthesis Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania infantum squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania major squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma congolense squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania mexicana farnesyltransferase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma brucei squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Candida albicans squalene synthase similar to S. cerevisiae ERG9 (YHR190W) involved in ergosterol biosynthesis Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma congolense squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma congolense squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma cruzi squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Trypanosoma cruzi squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
Leishmania braziliensis squalene synthase, putative Get druggable targets OG5_129470 All targets in OG5_129470
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
Plasmodium falciparum plasmepsin II 0.0046 0.011 0.0134
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.004 0.0088 0.0117
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.004 0.0088 0.0316
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0046 0.011 0.011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0166 0.0535 0.0535
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.001 0.0005
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.2192 0.7744 0.7744
Plasmodium falciparum glutathione reductase 0.0018 0.001 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0226 0.0652
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0046 0.011 0.011
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0195 0.0637 0.0811
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.004 0.0088 0.0316
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.0777 0.2711 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.004 0.0088 0.0316
Leishmania major oligopeptidase b 0.0224 0.0742 0.2208
Leishmania major geranylgeranyltransferase, putative 0.0079 0.0226 0.0652
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0195 0.0637 0.0811
Echinococcus multilocularis acylamino acid releasing enzyme 0.0224 0.0742 0.0742
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.0777 0.2711 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.004 0.0088 0.0316
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.2192 0.7744 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.095 0.3326 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0132 0.0132
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.004 0.0088 0.0117
Leishmania major hypothetical protein, conserved 0.0131 0.0409 0.1205
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0026 0.0088
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.028 0.0941 0.0941
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0006
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.004 0.0088 0.0117
Toxoplasma gondii hypothetical protein 0.0568 0.1967 0.278
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.0372 0.1364
Toxoplasma gondii aspartyl protease ASP1 0.0046 0.011 0.0142
Schistosoma mansoni hypothetical protein 0.004 0.0088 0.0088
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0568 0.1967 0.5902
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0224 0.0742 0.0947
Brugia malayi prolyl oligopeptidase family protein 0.095 0.3326 0.3326
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0026 0.0026
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0079 0.0226 0.0226
Toxoplasma gondii prolyl endopeptidase 0.0224 0.0742 0.104
Loa Loa (eye worm) hypothetical protein 0.2192 0.7744 0.7744
Loa Loa (eye worm) glutathione reductase 0.0053 0.0132 0.0132
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.004 0.0088 0.0316
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.001 0.0027
Trypanosoma brucei squalene synthase, putative 0.0419 0.1435 0.4298
Loa Loa (eye worm) cytochrome P450 family protein 0.0103 0.0313 0.0313
Trypanosoma cruzi squalene synthase, putative 0.0419 0.1435 0.4298
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.095 0.3326 1
Echinococcus multilocularis Squalene phytoene synthase 0.0131 0.0409 0.0409
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1624 0.5722 0.7386
Plasmodium falciparum thioredoxin reductase 0.0018 0.001 0.0005
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.028 0.0941 0.0941
Trypanosoma cruzi cytochrome P450, putative 0.0103 0.0313 0.0913
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0026 0.005
Plasmodium vivax prenyltransferase alpha subunit, putative 0.2192 0.7744 1
Leishmania major farnesyltransferase beta subunit 0.0195 0.0637 0.1893
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.004 0.0088 0.0316
Loa Loa (eye worm) hypothetical protein 0.0726 0.2529 0.2529
Mycobacterium leprae Conserved hypothetical protein 0.004 0.0088 0.0088
Brugia malayi glutathione reductase 0.0053 0.0132 0.0132
Echinococcus granulosus prolyl endopeptidase 0.0224 0.0742 0.0742
Schistosoma mansoni hypothetical protein 0.0131 0.0409 0.0409
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.004 0.0088 0.0316
Schistosoma mansoni hypothetical protein 0.0075 0.0213 0.0213
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0568 0.1967 0.2534
Entamoeba histolytica prolyl oligopeptidase family protein 0.0224 0.0742 0.0927
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.004 0.0088 0.0117
Loa Loa (eye worm) CYP4Cod1 0.0103 0.0313 0.0313
Mycobacterium leprae putative cytochrome p450 0.004 0.0088 0.0088
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.0372 0.1364
Echinococcus granulosus acylamino acid releasing enzyme 0.0224 0.0742 0.0742
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0568 0.1967 0.1967
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.0213 0.0213
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0224 0.0742 0.2208
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0224 0.0742 0.1019
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.004 0.0088 0.0117
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.122 0.4285 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.004 0.0088 0.0117
Trypanosoma cruzi protein farnesyltransferase, putative 0.0195 0.0637 0.1893
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.028 0.0941 0.0941
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0568 0.1967 0.5902
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.2192 0.7744 0.7744
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.004 0.0088 0.0316
Loa Loa (eye worm) hypothetical protein 0.0224 0.0742 0.0742
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0568 0.1967 0.1967
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0195 0.0637 0.0637
Loa Loa (eye worm) cytochrome P450 0.004 0.0088 0.0088
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.004 0.0088 0.0316
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.0213 0.0213
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0026 0.0029
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0195 0.0637 0.0637
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.004 0.0088 0.0316
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0132 0.0163
Leishmania major cytochrome p450-like protein 0.004 0.0088 0.0236
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.001 0.0005
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0568 0.1967 0.5902
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0224 0.0742 0.2208
Toxoplasma gondii thioredoxin reductase 0.0053 0.0132 0.0174
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.004 0.0088 0.0316
Plasmodium falciparum plasmepsin I 0.0046 0.011 0.0134
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.004 0.0088 0.0117
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.2826 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0119 0.0119
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.004 0.0088 0.0316
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0195 0.0637 0.0811
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.004 0.0088 0.0236
Brugia malayi prolyl oligopeptidase family protein 0.0224 0.0742 0.0742
Trypanosoma brucei lanosterol synthase 0.0079 0.0226 0.0652
Trypanosoma cruzi lanosterol synthase, putative 0.0079 0.0226 0.0652
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.1997 0.705 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0026
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.001 0.0006
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.004 0.0088 0.0316
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.004 0.0088 0.0117
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.095 0.3326 0.4709
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.042 0.154
Plasmodium vivax hypothetical protein, conserved 0.0224 0.0742 0.0951
Loa Loa (eye worm) hypothetical protein 0.0063 0.017 0.017
Brugia malayi Cytochrome P450 family protein 0.008 0.0229 0.0229
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0079 0.0226 0.028
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.004 0.0088 0.0117
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0224 0.0742 0.0742
Schistosoma mansoni 3-dehydroquinate synthase 0.0777 0.2711 0.2711
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0195 0.0637 0.0891
Loa Loa (eye worm) cytochrome P450 family protein 0.0103 0.0313 0.0313
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.004 0.0088 0.0117
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0026
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.095 0.3326 0.3326
Trypanosoma cruzi lanosterol synthase, putative 0.0079 0.0226 0.0652
Trypanosoma cruzi phytoene synthase, putative 0.0131 0.0409 0.1205
Trypanosoma cruzi hypothetical protein, conserved 0.0568 0.1967 0.5902
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0132 0.0479
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0033 0.0064 0.0064
Schistosoma mansoni hypothetical protein 0.0033 0.0064 0.0064
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0224 0.0742 0.0927
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.1997 0.705 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.042 0.154
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0132 0.0132
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.0372 0.1364
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0046 0.011 0.0142
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0568 0.1967 0.1967
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0079 0.0226 0.0226
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0195 0.0637 0.0811
Loa Loa (eye worm) prolyl oligopeptidase 0.0224 0.0742 0.0742
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.004 0.0088 0.0117
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.028 0.0941 0.0941
Trypanosoma cruzi cytochrome p450-like protein, putative 0.004 0.0088 0.0236
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.001 0.0006
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.028 0.0941 0.1204
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.028 0.0941 0.0941
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.2192 0.7744 0.7744
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0116 0.0356 0.0453
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0026 0.0029
Loa Loa (eye worm) hypothetical protein 0.0199 0.0654 0.0654
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.004 0.0088 0.0117
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0079 0.0226 0.0652
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0026 0.0026
Plasmodium vivax plasmepsin IV, putative 0.0046 0.011 0.0134
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.004 0.0088 0.0316
Schistosoma mansoni cytochrome P450 0.004 0.0088 0.0088
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.095 0.3326 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0006 0.0012
Loa Loa (eye worm) hypothetical protein 0.0224 0.0742 0.0742
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0006
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0568 0.1967 0.1967
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0568 0.1967 0.253
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0568 0.1967 0.1967
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.001 0.001
Giardia lamblia Rab geranylgeranyltransferase 0.2192 0.7744 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0568 0.1967 0.1967
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0224 0.0742 0.2208
Entamoeba histolytica hypothetical protein 0.0075 0.0213 0.0242
Plasmodium falciparum peptidase, putative 0.0224 0.0742 0.0951
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0006
Brugia malayi Thioredoxin reductase 0.0053 0.0132 0.0132
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.001 0.001
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.004 0.0088 0.0316
Trypanosoma brucei trypanothione reductase 0.0053 0.0132 0.0369
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0046 0.011 0.011
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.0372 0.1364
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.004 0.0088 0.0316
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0064 0.0064
Plasmodium falciparum glutathione reductase 0.0053 0.0132 0.0163
Toxoplasma gondii cytochrome p450 superfamily protein 0.004 0.0088 0.0111
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.004 0.0088 0.0117
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.095 0.3326 1
Giardia lamblia Rab geranylgeranyltransferase 0.0568 0.1967 0.253
Giardia lamblia Prenyltransferase 0.0195 0.0637 0.0811
Mycobacterium ulcerans phytoene synthase, CrtB 0.0131 0.0409 0.0573
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.028 0.0941 0.0941
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0224 0.0742 0.1045
Entamoeba histolytica hypothetical protein 0.0075 0.0213 0.0242
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0026 0.0029
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.0213 0.0213
Leishmania major cytochrome p450-like protein 0.0103 0.0313 0.0913
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0119 0.0119
Echinococcus granulosus Squalene phytoene synthase 0.0131 0.0409 0.0409
Mycobacterium leprae 3-dehydroquinate synthase AroB 0.0777 0.2711 0.3822
Echinococcus multilocularis prolyl endopeptidase 0.0224 0.0742 0.0742
Entamoeba histolytica hypothetical protein 0.0075 0.0213 0.0242
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0079 0.0226 0.0285
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0224 0.0742 0.0947
Trypanosoma cruzi oligopeptidase b 0.0224 0.0742 0.2208
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0026 0.0029
Trichomonas vaginalis conserved hypothetical protein 0.0224 0.0742 0.0947
Loa Loa (eye worm) cytochrome P450 family protein 0.008 0.0229 0.0229
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0224 0.0742 0.2208
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0131 0.0409 0.1502
Trypanosoma cruzi protein farnesyltransferase, putative 0.0195 0.0637 0.1893
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0046 0.011 0.0129
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.1997 0.705 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0224 0.0742 0.0927
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0195 0.0637 0.0816
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.028 0.0941 0.1185
Plasmodium falciparum plasmepsin VI 0.0046 0.011 0.0134
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.122 0.4285 0.6074
Plasmodium falciparum plasmepsin IV 0.0046 0.011 0.0134
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0131 0.0409 0.0384
Trypanosoma cruzi oligopeptidase b 0.0224 0.0742 0.2208
Leishmania major squalene synthase, putative 0.0419 0.1435 0.4298
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.122 0.4285 0.6074
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0568 0.1967 0.5902
Mycobacterium ulcerans 3-dehydroquinate synthase 0.0777 0.2711 0.384
Mycobacterium tuberculosis Probable peptidase 0.0224 0.0742 0.273
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.004 0.0088 0.0316
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.095 0.3326 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.004 0.0088 0.0236
Trypanosoma brucei prolyl endopeptidase 0.0224 0.0742 0.2208
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.2826 1 1
Trypanosoma cruzi squalene synthase, putative 0.0419 0.1435 0.4298
Schistosoma mansoni cathepsin D (A01 family) 0.0137 0.0431 0.0431
Trypanosoma brucei cytochrome P450, putative 0.0103 0.0313 0.0913
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0195 0.0637 0.0637
Trypanosoma cruzi cytochrome P450, putative 0.0103 0.0313 0.0913
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0132 0.0132
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0568 0.1967 0.5902
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0079 0.0226 0.028
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0568 0.1967 0.5902
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.004 0.0088 0.0316
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.042 0.056
Trypanosoma cruzi prolyl endopeptidase 0.0224 0.0742 0.2208
Echinococcus multilocularis Dipeptidyl peptidase 9 0.095 0.3326 0.3326
Plasmodium falciparum geranylgeranyltransferase, putative 0.0079 0.0226 0.0285
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.2192 0.7744 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0195 0.0637 0.0637
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0026 0.0029
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0195 0.0637 0.0792
Leishmania major cytochrome p450-like protein 0.004 0.0088 0.0236
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.001 0.0005
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0568 0.1967 0.5902
Toxoplasma gondii hypothetical protein 0.1624 0.5722 0.8113
Trypanosoma cruzi hypothetical protein, conserved 0.0568 0.1967 0.5902
Mycobacterium ulcerans hypothetical protein 0.0023 0.0026 0.0029
Chlamydia trachomatis dehyroquinate synthase 0.0777 0.2711 0.384
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0224 0.0742 0.2208
Onchocerca volvulus Prolyl endopeptidase homolog 0.0224 0.0742 0.0717
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0568 0.1967 0.2514
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0026 0.005
Trypanosoma brucei prolyl oligopeptidase, putative 0.0224 0.0742 0.2208
Toxoplasma gondii hypothetical protein 0.0224 0.0742 0.104
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.004 0.0088 0.0117
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.001 0.001
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.004 0.0088 0.0117
Loa Loa (eye worm) hypothetical protein 0.0046 0.011 0.011
Brugia malayi Cytochrome P450 family protein 0.004 0.0088 0.0088
Echinococcus multilocularis 0.004 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0006
Giardia lamblia Rab geranylgeranyltransferase 0.0079 0.0226 0.028
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0195 0.0637 0.0811
Trypanosoma brucei oligopeptidase b 0.0224 0.0742 0.2208
Loa Loa (eye worm) hypothetical protein 0.0079 0.0226 0.0226
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0224 0.0742 0.0742
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.2826 1 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0224 0.0742 0.2208
Entamoeba histolytica prolyl oligopeptidase family protein 0.0224 0.0742 0.0927
Mycobacterium tuberculosis Probable reductase 0.012 0.0372 0.1364
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0568 0.1967 0.1967
Brugia malayi cytochrome P450 0.004 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0224 0.0742 0.0742
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0026
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.2192 0.7744 0.7744
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.2192 0.7744 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.004 0.0088 0.0117
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0026 0.0029
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0224 0.0742 0.104
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0026 0.0088
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0568 0.1967 0.2534
Trypanosoma cruzi hypothetical protein, conserved 0.0224 0.0742 0.2208
Loa Loa (eye worm) hypothetical protein 0.0079 0.0226 0.0226
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.2192 0.7744 0.7744
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.122 0.4285 1
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0195 0.0637 0.1893
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0079 0.0226 0.0285
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0079 0.0226 0.0307
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0079 0.0226 0.0259
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0195 0.0637 0.0811
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0079 0.0226 0.0652
Entamoeba histolytica hypothetical protein 0.0075 0.0213 0.0242
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0199 0.0654 0.0654
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0079 0.0226 0.0307
Giardia lamblia Alanyl dipeptidyl peptidase 0.0224 0.0742 0.0947
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.001 0.001
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.2826 1 1
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0224 0.0742 0.0742
Brugia malayi prolyl oligopeptidase family protein 0.0224 0.0742 0.0742
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.1997 0.705 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.004 0.0088 0.0117
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.012 0.0372 0.0492
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0224 0.0742 0.0927
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0006
Trypanosoma cruzi hypothetical protein, conserved 0.0224 0.0742 0.2208
Trypanosoma brucei hypothetical protein, conserved 0.0568 0.1967 0.5902
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.042 0.154
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.004 0.0088 0.0316
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0195 0.0637 0.0816
Echinococcus granulosus cytochrome P450 2K1 0.004 0.0088 0.0088
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0026 0.0029
Leishmania major trypanothione reductase 0.0053 0.0132 0.0369
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.2192 0.7744 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.004 0.0088 0.0236
Plasmodium vivax geranylgeranyltransferase, putative 0.0079 0.0226 0.0285
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0046 0.011 0.011
Brugia malayi hypothetical protein 0.0075 0.0213 0.0213
Onchocerca volvulus 0.0568 0.1967 0.1946
Brugia malayi Cytochrome P450 family protein 0.0103 0.0313 0.0313
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0226 0.0652
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.001 0.0006
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.2192 0.7744 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0224 0.0742 0.0742
Brugia malayi prolyl oligopeptidase family protein 0.0224 0.0742 0.0742
Brugia malayi Cytochrome P450 family protein 0.0103 0.0313 0.0313
Schistosoma mansoni cathepsin D (A01 family) 0.0137 0.0431 0.0431
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0026 0.005
Plasmodium vivax glutathione reductase, putative 0.0053 0.0132 0.0163
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0026 0.0026
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0224 0.0742 0.273
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.004 0.0088 0.0236
Plasmodium falciparum thioredoxin reductase 0.0053 0.0132 0.0163
Brugia malayi hypothetical protein 0.0726 0.2529 0.2529
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.004 0.0088 0.0117
Loa Loa (eye worm) prolyl oligopeptidase 0.2826 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.0372 0.1364
Entamoeba histolytica hypothetical protein, conserved 0.0224 0.0742 0.0927
Loa Loa (eye worm) hypothetical protein 0.0131 0.0409 0.0409
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0079 0.0226 0.0226
Echinococcus granulosus Dipeptidyl peptidase 9 0.095 0.3326 0.3326
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0166 0.0535 0.0535
Giardia lamblia Alanyl dipeptidyl peptidase 0.0224 0.0742 0.0947
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0079 0.0226 0.0825
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.004 0.0088 0.0117
Plasmodium vivax aspartyl proteinase, putative 0.0046 0.011 0.0134
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0195 0.0637 0.0637
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.004 0.0088 0.0316
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.004 0.0088 0.0117
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0103 0.0313 0.0436
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0132 0.0369
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.001 0.0005

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 38.7 nM Inhibition rat liver microsomal squalene synthase ChEMBL. 7629799
IC50 (binding) = 38.7 nM Inhibition rat liver microsomal squalene synthase ChEMBL. 7629799

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

1 literature reference was collected for this gene.

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