Detailed information for compound 52616

Basic information

Technical information
  • TDR Targets ID: 52616
  • Name: 3-hexyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]dia zepin-8-ol
  • MW: 236.313 | Formula: C12H20N4O
  • H donors: 2 H acceptors: 2 LogP: 1.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCn1cnc2c1NC=NCC2O
  • InChi: 1S/C12H20N4O/c1-2-3-4-5-6-16-9-15-11-10(17)7-13-8-14-12(11)16/h8-10,17H,2-7H2,1H3,(H,13,14)
  • InChiKey: STMONNTYIUSYFY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-hexyl-7,8-dihydro-4H-imidazo[4,5-f][1,3]diazepin-8-ol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Adenosine deaminase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Adenosine deaminase (EC 3.5.4.4), related Get druggable targets OG5_127245 All targets in OG5_127245
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein Get druggable targets OG5_127245 All targets in OG5_127245
Entamoeba histolytica adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Brugia malayi Adenosine/AMP deaminase family protein Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium knowlesi adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma japonicum ko:K01488 adenosine deaminase [EC3.5.4.4], putative Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium ulcerans adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma japonicum ko:K01488 adenosine deaminase [EC3.5.4.4], putative Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium falciparum adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium vivax adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Echinococcus granulosus adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) Get druggable targets OG5_127245 All targets in OG5_127245
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium berghei adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium yoelii adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Onchocerca volvulus Adenosine deaminase homolog Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania mexicana adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania major adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Treponema pallidum adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Trichomonas vaginalis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania infantum adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania braziliensis adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma mansoni adenosine deaminase-related Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania donovani adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Babesia bovis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Entamoeba histolytica adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Echinococcus multilocularis adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Candida albicans similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Neospora caninum adenosine/AMP deaminase domain containing protein, putative Get druggable targets OG5_127245 All targets in OG5_127245
Candida albicans similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma mansoni adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Trichomonas vaginalis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum adenosine deaminase-related growth factor Adenosine deaminase   363 aa 299 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi trypanothione reductase, putative 0.0113 0.0501 0.1138
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0601 0.3502 1
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.0516 0.8081
Loa Loa (eye worm) cytohesin 3 0.009 0.0362 0.0502
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0043 0.0076 0.0096
Leishmania major ATP-dependent phosphofructokinase 0.0115 0.0516 0.1432
Loa Loa (eye worm) MIR domain-containing protein 0.0135 0.0638 0.0893
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0043 0.0076 0.006
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0049 0.0076
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0601 0.3502 0.9747
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.0446 0.6989
Loa Loa (eye worm) hypothetical protein 0.0081 0.0309 0.0426
Loa Loa (eye worm) hypothetical protein 0.007 0.0238 0.0326
Leishmania major fructose-1,6-bisphosphate aldolase 0.0601 0.3502 1
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0601 0.3502 0.4951
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0601 0.3502 0.9747
Brugia malayi Adenosine/AMP deaminase family protein 0.0104 0.0446 0.043
Plasmodium falciparum thioredoxin reductase 0.0039 0.0049 0.0139
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.0545 0.7383
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0082 0.1289
Echinococcus multilocularis ryanodine receptor 44f 0.0478 0.2745 0.763
Schistosoma mansoni ryanodine receptor related 0.0862 0.5099 0.5996
Brugia malayi 6-phosphofructokinase 0.0115 0.0516 0.05
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0098 0.0412 0.1105
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0149 0.0722 1
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0601 0.3502 0.9747
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0113 0.0501 0.6719
Brugia malayi hypothetical protein 0.0129 0.06 0.0585
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0039 0.0049 0.0093
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0862 0.5099 0.5091
Giardia lamblia NADH oxidase lateral transfer candidate 0.0039 0.0049 1
Schistosoma mansoni guanyl-nucleotide exchange factor 0.009 0.0362 0.0408
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0039 0.0049 0.0076
Echinococcus multilocularis chromobox protein 1 0.0074 0.0262 0.0686
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0115 0.0516 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0115 0.0516 1
Echinococcus granulosus cytohesin 1 0.009 0.0362 0.0967
Loa Loa (eye worm) hypothetical protein 0.0336 0.1871 0.264
Leishmania major adenine aminohydrolase 0.0104 0.0446 0.1232
Onchocerca volvulus 0.0098 0.0412 0.6405
Plasmodium vivax glutathione reductase, putative 0.0113 0.0501 0.143
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0063 0.0987
Loa Loa (eye worm) ryanodine receptor 0.0233 0.1238 0.1742
Echinococcus granulosus ryanodine receptor 44f 0.0478 0.2745 0.763
Mycobacterium ulcerans adenosine deaminase 0.0104 0.0446 0.8507
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0049 0.0112 0.0147
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0049 0.0076
Echinococcus multilocularis 6 phosphofructokinase 0.0115 0.0516 0.1396
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0039 0.0049 0.0139
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0039 0.0049 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0039 0.0049 0.0032
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.0516 0.8081
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0104 0.0446 0.1273
Loa Loa (eye worm) STAT protein 0.0165 0.0821 0.1152
Echinococcus granulosus expressed protein 0.0395 0.2235 0.6204
Loa Loa (eye worm) hypothetical protein 0.0098 0.0412 0.0572
Brugia malayi phosphofructokinase 0.0115 0.0516 0.05
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.012 0.0545 0.3613
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.0516 0.1173
Schistosoma mansoni chromobox protein 0.0074 0.0262 0.0289
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0104 0.0446 0.1273
Toxoplasma gondii thioredoxin reductase 0.0113 0.0501 0.143
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0601 0.3502 0.9747
Plasmodium falciparum glutathione reductase 0.0113 0.0501 0.143
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0601 0.3502 0.9747
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0063 0.0871
Plasmodium vivax thioredoxin reductase, putative 0.0113 0.0501 0.143
Leishmania major phosphoinositide-specific phospholipase C, putative 0.0041 0.0061 0.0127
Mycobacterium tuberculosis Probable oxidoreductase 0.0149 0.0722 1
Onchocerca volvulus 0.0131 0.0614 0.9622
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0149 0.0722 1
Onchocerca volvulus Adenosine deaminase homolog 0.0104 0.0446 0.695
Leishmania major inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0081 0.0309 0.0839
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0039 0.0049 0.0076
Echinococcus multilocularis cytohesin 1 0.009 0.0362 0.0967
Toxoplasma gondii NADPH-glutathione reductase 0.0039 0.0049 0.0139
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0601 0.3502 0.8193
Loa Loa (eye worm) hypothetical protein 0.1044 0.6217 0.8799
Echinococcus multilocularis chromobox protein 1 0.0074 0.0262 0.0686
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0115 0.0516 0.2528
Echinococcus granulosus 6 phosphofructokinase 0.0115 0.0516 0.1396
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0727 0.427 1
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0041 0.0061 0.0044
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0049 0.0076
Entamoeba histolytica AMP deaminase, putative 0.0034 0.0017 0.026
Schistosoma mansoni chromobox protein 0.0074 0.0262 0.0289
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0049 0.0076
Brugia malayi Heterochromatin protein 1 0.0074 0.0262 0.0246
Plasmodium falciparum fructose-bisphosphate aldolase 0.0601 0.3502 1
Plasmodium falciparum phosphoinositide-specific phospholipase C 0.0041 0.0061 0.0174
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.0516 0.0589
Trypanosoma brucei phosphoinositide-specific phospholipase C 0.0043 0.0076 0.014
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0601 0.3502 0.4112
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.0516 0.0589
Schistosoma mansoni adenosine deaminase 0.0104 0.0446 0.0506
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0601 0.3502 0.8193
Loa Loa (eye worm) hypothetical protein 0.007 0.0238 0.0326
Trypanosoma brucei trypanothione reductase 0.0113 0.0501 0.1138
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0098 0.0412 0.1105
Echinococcus multilocularis ryanodine receptor 44f 0.0616 0.3592 1
Trypanosoma cruzi inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0081 0.0309 0.0687
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0049 0.0076
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0601 0.3502 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0309 0.0426
Onchocerca volvulus 0.0034 0.0017 0.0134
Echinococcus granulosus stromal cell derived factor 2 0.0135 0.0638 0.1738
Mycobacterium tuberculosis Probable reductase 0.012 0.0545 0.7383
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0157 0.0775 0.0895
Loa Loa (eye worm) hypothetical protein 0.007 0.0238 0.0326
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.0545 0.7383
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0039 0.0049 0.0076
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0233 0.1238 0.144
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0082 0.1289
Brugia malayi MIR domain containing protein 0.0135 0.0638 0.0622
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0039 0.0049 0.0139
Trypanosoma cruzi inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0081 0.0309 0.0687
Loa Loa (eye worm) hypothetical protein 0.0034 0.0017 0.0012
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0039 0.0049 0.0038
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0039 0.0049 0.0093
Trichomonas vaginalis glutathione reductase, putative 0.0039 0.0049 0.0765
Loa Loa (eye worm) hypothetical protein 0.0616 0.3592 0.5079
Brugia malayi glutathione reductase 0.0113 0.0501 0.0485
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0039 0.0049 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0039 0.0049 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0063 0.0987
Echinococcus granulosus chromobox protein 1 0.0074 0.0262 0.0686
Echinococcus multilocularis expressed protein 0.0395 0.2235 0.6204
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0601 0.3502 0.4951
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0601 0.3502 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0039 0.0049 0.0139
Brugia malayi Thioredoxin reductase 0.0113 0.0501 0.0485
Loa Loa (eye worm) phosphofructokinase 0.0115 0.0516 0.0719
Loa Loa (eye worm) hypothetical protein 0.1182 0.7064 1
Entamoeba histolytica MIR domain protein 0.0135 0.0638 1
Toxoplasma gondii phosphoinositide phospholipase PIPLC 0.0043 0.0076 0.0217
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0601 0.3502 0.8193
Loa Loa (eye worm) hypothetical protein 0.0081 0.0309 0.0426
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.0516 0.0719
Plasmodium falciparum thioredoxin reductase 0.0113 0.0501 0.143
Plasmodium vivax adenosine/AMP deaminase, putative 0.0034 0.0017 0.0047
Plasmodium falciparum glutathione reductase 0.0039 0.0049 0.0139
Brugia malayi Cytohesin 3 0.009 0.0362 0.0346
Treponema pallidum NADH oxidase 0.0039 0.0049 0.0947
Brugia malayi fructose-bisphosphate aldolase 1 0.0601 0.3502 0.3491
Schistosoma mansoni phospholipase C beta 0.0096 0.0396 0.0448
Loa Loa (eye worm) hypothetical protein 0.007 0.0238 0.0326
Brugia malayi chromobox protein homolog 3 0.0041 0.0063 0.0046
Echinococcus granulosus thioredoxin glutathione reductase 0.0113 0.0501 0.1354
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.0446 0.6989
Loa Loa (eye worm) thioredoxin reductase 0.0113 0.0501 0.0698
Leishmania major phospholipase c-like protein 0.0043 0.0076 0.017
Schistosoma mansoni inositol 145-trisphosphate receptor 0.1414 0.8493 1
Loa Loa (eye worm) Plcb4 protein 0.0096 0.0396 0.055
Onchocerca volvulus AMP deaminase 2 homolog 0.0034 0.0017 0.0134
Loa Loa (eye worm) hypothetical protein 0.0104 0.0446 0.062
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0115 0.0516 0.6938
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0039 0.0049 0.0076
Onchocerca volvulus 0.0135 0.0638 1
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0104 0.0446 0.5902
Loa Loa (eye worm) hypothetical protein 0.1166 0.6967 0.9862
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0727 0.427 1
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0601 0.3502 0.9747
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.0516 0.1173
Leishmania major hypothetical protein, conserved 0.0494 0.2842 0.8107
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.0516 0.8081
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0072 0.0251 0.0276
Loa Loa (eye worm) hypothetical protein 0.0131 0.0614 0.0859
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0049 0.0076
Plasmodium falciparum adenosine deaminase 0.0104 0.0446 0.1273
Plasmodium falciparum AMP deaminase, putative 0.0034 0.0017 0.0047
Trypanosoma brucei inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0085 0.0332 0.0742
Trichomonas vaginalis mannosyltransferase 1, putative 0.0135 0.0638 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0049 0.0076
Plasmodium vivax adenosine deaminase, putative 0.0104 0.0446 0.1273
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0039 0.0049 0.0076
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0601 0.3502 0.9747
Echinococcus multilocularis thioredoxin glutathione reductase 0.0113 0.0501 0.1354
Trypanosoma cruzi phosphoinositide-specific phospholipase C, putative 0.0043 0.0076 0.014
Schistosoma mansoni inositol 145-trisphosphate receptor 0.1044 0.6217 0.7315
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0082 0.1177
Echinococcus granulosus adenosine deaminase 0.0104 0.0446 0.1201
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0039 0.0049 0.009
Entamoeba histolytica AMP deaminase, putative 0.0034 0.0017 0.026
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.0516 0.8081
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0149 0.0722 1
Toxoplasma gondii AMP deaminase 0.0034 0.0017 0.0047
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0601 0.3502 0.9747
Trichomonas vaginalis adenosine deaminase, putative 0.0104 0.0446 0.6989
Loa Loa (eye worm) hypothetical protein 0.0229 0.1217 0.1712
Treponema pallidum adenosine deaminase 0.0104 0.0446 0.8649
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0039 0.0049 0.5
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0262 0.4106
Plasmodium vivax phospholipase C-like, putative 0.0041 0.0061 0.0174
Echinococcus multilocularis stromal cell derived factor 2 0.0135 0.0638 0.1738
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0601 0.3502 0.8193
Brugia malayi Variant SH3 domain containing protein 0.0049 0.0112 0.0096
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.0516 0.8081
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0096 0.0396 0.038
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0601 0.3502 1
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0262 0.4106
Loa Loa (eye worm) glutathione reductase 0.0113 0.0501 0.0698
Leishmania major phosphatidylinositol-specific phospholipase-like protein 0.0041 0.0061 0.0127
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0039 0.0049 0.0093
Loa Loa (eye worm) AMP deaminase 0.0034 0.0017 0.0012
Brugia malayi phospholipase C homolog 0.0072 0.0251 0.0235
Loa Loa (eye worm) hypothetical protein 0.0041 0.0063 0.0078
Brugia malayi fructose-bisphosphate aldolase 2 0.0601 0.3502 0.3491
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0135 0.0638 0.0733
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.0516 0.0719
Onchocerca volvulus 0.0098 0.0412 0.6405
Echinococcus granulosus chromobox protein 1 0.0074 0.0262 0.0686
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0039 0.0049 0.0139
Brugia malayi 6-phosphofructokinase 0.0115 0.0516 0.05
Leishmania major trypanothione reductase 0.0113 0.0501 0.1389
Trichomonas vaginalis adenosine deaminase, putative 0.0104 0.0446 0.6989
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.0516 0.8081
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0601 0.3502 0.8193
Echinococcus multilocularis adenosine deaminase 0.0104 0.0446 0.1201
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.0545 0.7383
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.0516 0.8081
Brugia malayi STAT protein, DNA binding domain containing protein 0.0165 0.0821 0.0806
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.0545 0.7383
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.0262 0.036
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0039 0.0049 0.0076
Schistosoma mansoni adenosine deaminase-related 0.0104 0.0446 0.0506
Echinococcus granulosus ryanodine receptor 44f 0.0616 0.3592 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0039 0.0049 0.0139
Trichomonas vaginalis mercuric reductase, putative 0.0039 0.0049 0.0765
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.0545 0.7383
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0039 0.0049 0.009
Loa Loa (eye worm) hypothetical protein 0.0041 0.0061 0.0075
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0601 0.3502 0.4112

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.48 uM Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA) ChEMBL. 10780906
Ki (binding) = 0.48 uM Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA) ChEMBL. 10780906
Ki (binding) = 20 uM Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA) ChEMBL. 10780906
Ki (binding) = 20 uM Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA) ChEMBL. 10780906

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.