Detailed information for compound 1641667

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 531.619 | Formula: C25H26FN3O5S2
  • H donors: 1 H acceptors: 4 LogP: 4.81 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: F[C@H]1CCN(C1)S(=O)(=O)c1ccc(cc1)Oc1cc(OCC=C(C)C)cc(c1)C(=O)Nc1nccs1
  • InChi: 1S/C25H26FN3O5S2/c1-17(2)8-11-33-21-13-18(24(30)28-25-27-9-12-35-25)14-22(15-21)34-20-3-5-23(6-4-20)36(31,32)29-10-7-19(26)16-29/h3-6,8-9,12-15,19H,7,10-11,16H2,1-2H3,(H,27,28,30)/t19-/m0/s1
  • InChiKey: KIBCHNCQTPWSGC-IBGZPJMESA-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 glucokinase (hexokinase 4) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium yoelii hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Babesia bovis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma cruzi hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium berghei hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma cruzi hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Cryptosporidium parvum hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Brugia malayi Hexokinase family protein Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania braziliensis hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Cryptosporidium hominis hexokinase i Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei gambiense hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans similar to D.occidentalis hexokinase HXK which is able to phosphorylate glucose and fructose Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Entamoeba histolytica hexokinase 1 Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania infantum hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans similar to D.occidentalis hexokinase HXK which is able to phosphorylate glucose and fructose Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium vivax hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania major hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hexokinase type II Get druggable targets OG5_126743 All targets in OG5_126743
Brugia malayi hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Neospora caninum cDNA FLJ57348, highly similar to Homo sapiens hexokinase domain containing 1 (HKDC1), mRNA, related Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium falciparum hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania major hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium knowlesi hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania donovani hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase type 2 Get druggable targets OG5_126743 All targets in OG5_126743
Toxoplasma gondii hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Theileria parva hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania mexicana hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania mexicana hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma congolense hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Entamoeba histolytica hexokinase 2 Get druggable targets OG5_126743 All targets in OG5_126743
Schistosoma mansoni hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Schistosoma japonicum ko:K00844 hexokinase [EC2.7.1.1], putative Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Treponema pallidum hexokinase (hxk) Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei gambiense hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Theileria parva hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus hexokinase type 2 Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania infantum hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hexokinase family protein glucokinase (hexokinase 4) 465 aa 470 aa 30.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus hexokinase 0.0096 0.375 0.375
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Mycobacterium tuberculosis Probable reductase 0.0104 0.4213 0.8342
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0096 0.3763 0.3763
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0204 1 1
Onchocerca volvulus 0.0096 0.375 0.2488
Loa Loa (eye worm) nuclear receptor NHR-67 0.0096 0.3763 0.3763
Echinococcus granulosus Nuclear hormone receptor HR96 0.0096 0.3763 0.3763
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0096 0.3763 0.3763
Schistosoma mansoni hexokinase 0.0096 0.375 0.375
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.4885 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0204 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0096 0.3763 0.3763
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0096 0.3763 0.3763
Brugia malayi hypothetical protein 0.0096 0.3763 0.3763
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.3903 0.3903
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0204 1 1
Brugia malayi hypothetical protein 0.0154 0.7066 0.7066
Schistosoma mansoni nuclear receptor nhr-48 0.0096 0.3763 0.3763
Echinococcus granulosus nuclear receptor nhr 48 0.0096 0.3763 0.3763
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0108 0.4431 0.4431
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.4885 1
Schistosoma mansoni zinc finger protein 0.0096 0.3763 0.3763
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.3903 0.3903
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0204 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.4213 0.8342
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0204 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.4885 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.2096 0.2096
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0108 0.4431 0.4431
Loa Loa (eye worm) glutathione reductase 0.0046 0.0832 0.0832
Echinococcus granulosus hexokinase type 2 0.0096 0.375 0.375
Echinococcus granulosus FTZ F1 alpha 0.0204 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0832 0.0832
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.3903 0.3903
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0204 1 1
Onchocerca volvulus 0.0204 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0204 1 1
Trypanosoma brucei hexokinase 0.0096 0.375 1
Brugia malayi Nuclear hormone receptor E75 0.0096 0.3763 0.3763
Brugia malayi nuclear hormone receptor family member nhr-6 0.0096 0.3763 0.3763
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0204 1 1
Loa Loa (eye worm) hexokinase 0.0096 0.375 0.375
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Schistosoma mansoni thyroid hormone receptor 0.0204 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0204 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0832 0.0832
Onchocerca volvulus Protein ultraspiracle homolog 0.0204 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0204 1 1
Onchocerca volvulus 0.0096 0.3763 0.2504
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0204 1 1
Brugia malayi nuclear receptor RXR 0.0096 0.3763 0.3763
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.4213 0.8342
Brugia malayi nuclear receptor RXR 0.0108 0.4431 0.4431
Onchocerca volvulus 0.0154 0.7066 0.6474
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0096 0.3763 0.3763
Trypanosoma brucei hexokinase, putative 0.0096 0.375 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.4431 0.4431
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0108 0.4431 0.4431
Schistosoma mansoni steroid hormone receptor ad4bp 0.0204 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0096 0.3763 0.2504
Echinococcus granulosus ecdysone induced protein 78C 0.0204 1 1
Loa Loa (eye worm) hexokinase 0.006 0.1679 0.1679
Loa Loa (eye worm) DR-78 0.0096 0.3763 0.3763
Loa Loa (eye worm) hypothetical protein 0.0108 0.4431 0.4431
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0832 0.0832
Loa Loa (eye worm) hypothetical protein 0.0066 0.1983 0.1983
Brugia malayi tailless protein 0.0096 0.3763 0.3763
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.4213 0.8342
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0204 1 1
Treponema pallidum hexokinase (hxk) 0.0096 0.375 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0204 1 1
Schistosoma mansoni nuclear receptor 0.0096 0.3763 0.3763
Echinococcus granulosus hexokinase 0.0096 0.375 0.375
Brugia malayi Hexokinase family protein 0.006 0.1679 0.1679
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0204 1 1
Brugia malayi hexokinase 0.0096 0.375 0.375
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.2096 0.2096
Echinococcus granulosus thyroid hormone receptor alpha 0.0096 0.3763 0.3763
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0204 1 1
Entamoeba histolytica hexokinase 1 0.0096 0.375 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0204 1 1
Plasmodium falciparum hexokinase 0.0096 0.375 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Schistosoma mansoni nuclear hormone receptor 0.0096 0.3763 0.3763
Brugia malayi nuclear receptor NHR-88 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Schistosoma mansoni coup transcription factor 0.0204 1 1
Brugia malayi Thioredoxin reductase 0.0046 0.0832 0.0832
Brugia malayi hypothetical protein 0.0096 0.3763 0.3763
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0096 0.3763 0.2504
Brugia malayi nuclear hormone receptor 0.0096 0.3763 0.3763
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0204 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.4213 0.8342
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Brugia malayi MH2 domain containing protein 0.0115 0.4856 0.4856
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Onchocerca volvulus 0.0096 0.375 0.2488
Echinococcus multilocularis nuclear receptor nhr 48 0.0096 0.3763 0.3763
Loa Loa (eye worm) hexokinase 0.0096 0.375 0.375
Loa Loa (eye worm) hypothetical protein 0.0108 0.4431 0.4431
Leishmania major hexokinase, putative 0.0096 0.375 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0204 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Brugia malayi nuclear receptor NHR-67 0.0096 0.3763 0.3763
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0204 1 1
Brugia malayi hypothetical protein 0.0108 0.4431 0.4431
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Onchocerca volvulus 0.0096 0.3763 0.2504
Brugia malayi Nuclear hormone receptor E75 0.0096 0.3763 0.3763
Toxoplasma gondii hexokinase 0.0096 0.375 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0204 1 1
Echinococcus granulosus hexokinase 0.0096 0.375 0.375
Brugia malayi hypothetical protein 0.0108 0.4431 0.4431
Brugia malayi photoreceptor-specific nuclear receptor 0.0204 1 1
Brugia malayi ecdysone receptor 0.0096 0.3763 0.3763
Echinococcus granulosus Nuclear hormone receptor HR96 0.0096 0.3763 0.3763
Brugia malayi orphan nuclear receptor NR2E1 0.0096 0.3763 0.3763
Echinococcus multilocularis hexokinase 0.0096 0.375 0.375
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0096 0.3763 0.3763
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.3903 0.3903
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0096 0.3763 0.3763
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0204 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0108 0.4431 0.4431
Schistosoma mansoni nuclear receptor 0.0096 0.3763 0.3763
Loa Loa (eye worm) hypothetical protein 0.0154 0.7066 0.7066
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Schistosoma mansoni nuclear hormone receptor 0.0096 0.3763 0.3763
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0204 1 1
Leishmania major hexokinase, putative 0.0096 0.375 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.4213 0.8342
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0096 0.3763 0.3763
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0096 0.3763 0.3763
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0108 0.4431 0.4431
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0204 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0204 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0204 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0096 0.3763 0.3763
Brugia malayi Hexokinase family protein 0.0096 0.375 0.375
Echinococcus multilocularis FTZ F1 alpha 0.0204 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0096 0.3763 0.3763
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0108 0.4431 0.4431
Brugia malayi nuclear hormone receptor 0.0204 1 1
Brugia malayi conserved hypotetical protein 0.0096 0.3763 0.3763
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0204 1 1
Brugia malayi steroid hormone receptor 0.0204 1 1
Trypanosoma cruzi hexokinase, putative 0.0096 0.375 1
Onchocerca volvulus 0.0096 0.375 0.2488
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Schistosoma mansoni hypothetical protein 0.0068 0.2096 0.2096
Brugia malayi Steroid receptor seven-up type 2 0.0204 1 1
Brugia malayi nuclear receptor NHR-88 0.0096 0.3763 0.3763
Entamoeba histolytica hexokinase 2 0.0096 0.375 0.5
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.4856 0.4856
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0204 1 1
Trypanosoma brucei hexokinase 0.0096 0.375 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.4431 0.4431
Echinococcus multilocularis hexokinase 0.0096 0.375 0.375
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0204 1 1
Trypanosoma cruzi hexokinase, putative 0.0096 0.375 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.4885 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0204 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0204 1 1
Brugia malayi glutathione reductase 0.0046 0.0832 0.0832
Loa Loa (eye worm) nuclear hormone receptor 0.0096 0.3763 0.3763
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Schistosoma mansoni RAR-like nuclear receptor 0.0204 1 1
Loa Loa (eye worm) hexokinase type II 0.0096 0.375 0.375
Loa Loa (eye worm) hypothetical protein 0.0108 0.4431 0.4431
Schistosoma mansoni thyroid hormone receptor 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.3763 0.3763
Onchocerca volvulus Bile acid receptor homolog 0.0204 1 1
Echinococcus multilocularis hexokinase 0.0096 0.375 0.375
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0108 0.4431 0.4431
Plasmodium vivax hexokinase, putative 0.0096 0.375 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0204 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.4856 0.4856
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0096 0.3763 0.3763
Schistosoma mansoni nuclear hormone receptor 0.0204 1 1
Echinococcus multilocularis hexokinase type 2 0.0096 0.375 0.375
Loa Loa (eye worm) steroid hormone receptor 0.0204 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 52.3 nM Activation of human recombinant glucokinase expressed in Escherichia coli BL21(DE3) coexpressing G6PDH assessed as glucose 6-phosphate formation by spectrometric analysis ChEMBL. 22459213
FC (binding) = 1.9 Activation of human recombinant glucokinase expressed in Escherichia coli BL21(DE3) coexpressing G6PDH assessed as glucose 6-phosphate formation by spectrometric analysis relative to control ChEMBL. 22459213

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.

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