Detailed information for compound 1062806

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.405 | Formula: C22H19N3O3
  • H donors: 2 H acceptors: 3 LogP: 2.57 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1Oc2c(C1)c(ccn2)c1cccc(c1)C(=O)N)NCc1ccccc1
  • InChi: 1S/C22H19N3O3/c23-20(26)16-8-4-7-15(11-16)17-9-10-24-22-18(17)12-19(28-22)21(27)25-13-14-5-2-1-3-6-14/h1-11,19H,12-13H2,(H2,23,26)(H,25,27)
  • InChiKey: NRHCDOUVUTVQGN-UHFFFAOYSA-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 glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.218 0.2209
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.218 0.2209
Echinococcus multilocularis beta adrenergic receptor kinase 0.0021 0.0066 0.0067
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.218 0.2288
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0835 0.0783
Loa Loa (eye worm) hypothetical protein 0.0081 0.1792 0.1792
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.0463
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.029 0.0291
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0463 0.0486
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0463 0.0463
Mycobacterium ulcerans lipase LipD 0.0035 0.0463 0.1211
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0349 0.9527 0.9527
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0124 0.3044 0.5132
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.1792 0.1797
Schistosoma mansoni protein kinase 0.0349 0.9527 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.0463
Echinococcus granulosus casein kinase ii subunit alpha 0.0349 0.9527 0.9556
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0066 0.007
Schistosoma mansoni aldehyde dehydrogenase 0.0124 0.3044 0.3195
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.218 0.2288
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0463 0.0781
Onchocerca volvulus 0.0365 1 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.1792 0.1797
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.218 0.2209
Trypanosoma brucei Casein kinase II 0.0349 0.9527 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0463 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.3044 1
Entamoeba histolytica casein kinase, putative 0.0349 0.9527 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0463 0.0781
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.218 0.2209
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0077 0.1669 0.1752
Echinococcus granulosus casein kinase ii subunit beta 0.0077 0.1669 0.1674
Entamoeba histolytica kinesin, putative 0.0026 0.0199 0.0108
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0259 0.026
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.3044 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1174 0.1178
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.029 0.0291
Brugia malayi follicle stimulating hormone receptor 0.0226 0.5977 0.5977
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.1174 0.1233
Echinococcus granulosus kinesin family 1 0.02 0.5225 0.5241
Schistosoma mansoni casein kinase II beta subunit 0.0077 0.1669 0.1752
Schistosoma mansoni kinase 0.0049 0.0871 0.0914
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0108 0.5
Mycobacterium tuberculosis Conserved protein 0.0035 0.0463 0.0781
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.1792 0.1792
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0077 0.1669 0.1421
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0835 0.0783
Onchocerca volvulus 0.0035 0.0463 0.0179
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0349 0.9527 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0463 0.0463
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1174 0.3632
Trichomonas vaginalis esterase, putative 0.0035 0.0463 0.0388
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0077 0.1669 0.1752
Giardia lamblia Kinase, CMGC CK2 0.0349 0.9527 1
Brugia malayi casein kinase II, putaitve 0.0022 0.0097 0.0097
Mycobacterium tuberculosis Conserved protein 0.0035 0.0463 0.0781
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1174 0.1178
Trypanosoma cruzi casein kinase II, putative 0.0349 0.9527 1
Loa Loa (eye worm) hypothetical protein 0.0365 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.218 0.2209
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0463 0.0388
Echinococcus granulosus expressed protein 0.0364 0.997 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0021 0.0066 0.0066
Echinococcus multilocularis expressed protein 0.0364 0.997 1
Plasmodium falciparum casein kinase 2, alpha subunit 0.0349 0.9527 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Echinococcus multilocularis kinesin family 1 0.02 0.5225 0.5241
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0124 0.3044 0.3054
Trypanosoma brucei polo-like protein kinase 0.0094 0.218 0.2288
Onchocerca volvulus 0.0035 0.0463 0.0179
Mycobacterium leprae Probable lipase LipE 0.0035 0.0463 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.5932 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Toxoplasma gondii kinesin motor domain-containing protein 0.0026 0.0199 0.0209
Plasmodium vivax casein kinase II beta chain, putative 0.0077 0.1669 0.1752
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.218 0.2209
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0124 0.3044 0.3195
Entamoeba histolytica protein kinase domain containing protein 0.0349 0.9527 1
Schistosoma mansoni hypothetical protein 0.0174 0.4475 0.4697
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Brugia malayi Casein kinase II, alpha chain 0.0349 0.9527 0.9527
Brugia malayi beta-lactamase family protein 0.0035 0.0463 0.0463
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.0463
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0108 0.0113
Onchocerca volvulus 0.0231 0.6125 0.601
Trichomonas vaginalis CMGC family protein kinase 0.0349 0.9527 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.218 0.2209
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0077 0.1669 0.1667
Mycobacterium ulcerans beta-lactamase 0.0035 0.0463 0.1211
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0463 0.0781
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Leishmania major casein kinase II, putative 0.0349 0.9527 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.1174 0.1233
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0463 0.0388
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0638 0.0638
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.029 0.0304
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0021 0.0066 0.0066
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0108 0.0113
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0077 0.1669 0.1667
Schistosoma mansoni kinesin eg-5 0.0026 0.0199 0.0209
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0108 0.0113
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0021 0.0066 0.0066
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.218 0.2187
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0463 0.0465
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0463 0.0465
Loa Loa (eye worm) kinesin-like protein KLP2 0.0026 0.0199 0.0199
Plasmodium vivax unspecified product 0.0349 0.9527 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0463 0.0388
Schistosoma mansoni aldehyde dehydrogenase 0.0124 0.3044 0.3195
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Brugia malayi Kinesin motor domain containing protein 0.0026 0.0199 0.0199
Trichomonas vaginalis CMGC family protein kinase 0.0349 0.9527 1
Brugia malayi beta-lactamase 0.0035 0.0463 0.0463
Brugia malayi Pre-SET motif family protein 0.0029 0.029 0.029
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1189 0.1189
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.218 0.218
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0066 0.007
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Trichomonas vaginalis set domain proteins, putative 0.0231 0.6125 0.6392
Brugia malayi beta-lactamase family protein 0.0035 0.0463 0.0463
Mycobacterium tuberculosis Conserved protein 0.0035 0.0463 0.0781
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0463 0.0486
Schistosoma mansoni hypothetical protein 0.0041 0.0638 0.067
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.1174 0.1174
Toxoplasma gondii aldehyde dehydrogenase 0.0124 0.3044 0.3195
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0463 0.1211
Trichomonas vaginalis CMGC family protein kinase 0.0349 0.9527 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0463 0.0486
Plasmodium falciparum casein kinase II beta chain 0.0077 0.1669 0.1752
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0957 0.0957
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0463 0.0486
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1189 0.1189
Loa Loa (eye worm) hypothetical protein 0.0029 0.029 0.029
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0108 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.029 0.0304
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0108 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.029 0.0304
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0463 0.0781
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.218 0.218
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.029 0.0304
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.1174 0.1979
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.0463
Giardia lamblia Kinesin-5 0.0026 0.0199 0.0108
Loa Loa (eye worm) casein kinase II 0.0022 0.0097 0.0097
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.218 0.2187
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.029 0.0304
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0108 0.0113
Giardia lamblia Casein kinase II beta chain 0.0077 0.1669 0.1667
Trichomonas vaginalis CMGC family protein kinase 0.0349 0.9527 1
Loa Loa (eye worm) Csnk2b protein 0.0077 0.1669 0.1669
Plasmodium falciparum casein kinase II beta chain 0.0077 0.1669 0.1752
Trichomonas vaginalis CMGC family protein kinase 0.0349 0.9527 1
Echinococcus multilocularis casein kinase ii subunit alpha 0.0349 0.9527 0.9556
Loa Loa (eye worm) hypothetical protein 0.0041 0.0638 0.0638
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0077 0.1669 0.1752
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1174 0.3632
Brugia malayi Pre-SET motif family protein 0.0203 0.5315 0.5315
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0066 0.007
Plasmodium falciparum kinesin-5 0.0026 0.0199 0.0209
Loa Loa (eye worm) hypothetical protein 0.006 0.1189 0.1189
Entamoeba histolytica hypothetical protein 0.0023 0.0108 0.0011
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0463 0.0781
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.5977 0.5977
Giardia lamblia Kinase, PLK 0.0094 0.218 0.2209
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1189 0.1189
Leishmania major hypothetical protein, conserved 0.0035 0.0463 0.0486
Trichomonas vaginalis CMGC family protein kinase 0.0349 0.9527 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0463 0.0388
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0077 0.1669 0.1421
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0463 0.0486
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.218 0.2288
Echinococcus multilocularis casein kinase ii subunit beta 0.0077 0.1669 0.1674
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.029 0.0291
Plasmodium vivax casein kinase II beta chain, putative 0.0077 0.1669 0.1752
Mycobacterium ulcerans hypothetical protein 0.0035 0.0463 0.1211
Onchocerca volvulus 0.0081 0.1792 0.1547
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.0463
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0463 0.1211
Onchocerca volvulus 0.0035 0.0463 0.0179
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0463 0.0388
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.3044 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0077 0.1669 0.1752
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0463 0.0781
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Toxoplasma gondii ABC1 family protein 0.0035 0.0463 0.0486
Loa Loa (eye worm) hypothetical protein 0.0035 0.0463 0.0463
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0077 0.1669 0.1667
Plasmodium vivax kinesin-5 0.0026 0.0199 0.0209
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0124 0.3044 0.3054
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.1792 0.1881
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.218 0.2209
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0108 0.0181
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.218 0.2288
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0108 0.0113
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0463 0.0781
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.5315 0.5315
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1669 0.1667
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0463 0.0486
Brugia malayi Csnk2b protein 0.0077 0.1669 0.1669
Plasmodium vivax SET domain protein, putative 0.0029 0.029 0.0304
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.218 0.1947
Loa Loa (eye worm) beta-lactamase 0.0035 0.0463 0.0463
Toxoplasma gondii CMGC kinase, CK2 family 0.0349 0.9527 1
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0077 0.1669 0.1752
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0108 0.0113
Toxoplasma gondii ck2 beta subunit 0.0077 0.1669 0.1752
Echinococcus granulosus beta-adrenergic receptor kinase 0.0021 0.0066 0.0067
Trichomonas vaginalis CMGC family protein kinase 0.0349 0.9527 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0596 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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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