Detailed information for compound 1427143

Basic information

Technical information
  • TDR Targets ID: 1427143
  • Name: 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxaz ol-4-yl]methylsulfinyl]-N-(1,2,3,4-tetrahydro naphthalen-1-yl)acetamide
  • MW: 468.565 | Formula: C25H28N2O5S
  • H donors: 2 H acceptors: 3 LogP: 4.53 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1oc(c(n1)C[S+](CC(=O)NC1CCCc2c1cccc2)[O-])C
  • InChi: 1S/C25H28N2O5S/c1-16-21(27-25(32-16)18-11-12-22(30-2)23(13-18)31-3)14-33(29)15-24(28)26-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,11-13,20H,6,8,10,14-15H2,1-3H3,(H,26,28)
  • InChiKey: BUYHNGPKNHGENZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfinyl]-N-tetralin-1-yl-acetamide
  • 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-(1-tetralinyl)acetamide
  • 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamide
  • IDI1_005278
  • MLS000117687
  • SMR000094635
  • ChemDiv2_006563
  • MLS000878449

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.0051 0.0659 0.3533
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0553 0.1695
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.1031 0.1047
Echinococcus granulosus tar DNA binding protein 0.0192 0.5755 1
Schistosoma mansoni tar DNA-binding protein 0.0192 0.5755 0.8812
Loa Loa (eye worm) isocitrate dehydrogenase 0.0048 0.0553 0.0102
Schistosoma mansoni hypothetical protein 0.0098 0.2344 0.3033
Echinococcus multilocularis isocitrate dehydrogenase 0.0048 0.0553 0.0143
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.2999 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1031 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.2577 0.8342
Schistosoma mansoni tar DNA-binding protein 0.0192 0.5755 0.8812
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0048 0.0553 0.1695
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.2999 1
Brugia malayi RNA binding protein 0.0192 0.5755 0.5755
Mycobacterium tuberculosis Probable reductase 0.0104 0.2577 0.8342
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.1031 1
Loa Loa (eye worm) hypothetical protein 0.0309 1 1
Echinococcus multilocularis tar DNA binding protein 0.0192 0.5755 1
Brugia malayi hypothetical protein 0.0051 0.0659 0.0659
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.1031 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0211 0.6456 0.6456
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0553 0.1695
Brugia malayi Isocitrate dehydrogenase 0.0048 0.0553 0.0553
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.1031 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1031 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0553 0.0143
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.2999 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0098 0.2344 0.1978
Schistosoma mansoni tar DNA-binding protein 0.0192 0.5755 0.8812
Brugia malayi TAR-binding protein 0.0192 0.5755 0.5755
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.1031 0.0602
Brugia malayi Latrophilin receptor protein 2 0.0098 0.2344 0.2344
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.1031 1
Brugia malayi Thioredoxin reductase 0.0046 0.0456 0.0456
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0659 0.3533
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0659 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0192 0.5755 0.5552
Brugia malayi Calcitonin receptor-like protein seb-1 0.0309 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0659 0.3533
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0659 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0098 0.2344 0.3536
Brugia malayi RNA recognition motif domain containing protein 0.0192 0.5755 0.5755
Schistosoma mansoni hypothetical protein 0.0098 0.2344 0.3033
Schistosoma mansoni tar DNA-binding protein 0.0192 0.5755 0.8812
Loa Loa (eye worm) hypothetical protein 0.0211 0.6456 0.6287
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0098 0.2344 0.3536
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0048 0.0553 0.0143
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.2577 0.8342
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.2577 0.8342
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.1031 0.1047
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.1031 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0553 0.1695
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0048 0.0553 0.0383
Brugia malayi MAP kinase sur-1 0.0062 0.1031 0.1031
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.2577 0.8342
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.1031 0.1047
Loa Loa (eye worm) TAR-binding protein 0.0192 0.5755 0.5552
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0553 0.1695
Schistosoma mansoni hypothetical protein 0.0098 0.2344 0.3033
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1031 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.1031 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0659 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.1031 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0048 0.0553 0.4798
Brugia malayi isocitrate dehydrogenase 0.0048 0.0553 0.0553
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0553 0.1695
Loa Loa (eye worm) hypothetical protein 0.0051 0.0659 0.0213
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0659 0.3533
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.1031 0.1047
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.2577 0.8342
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0659 0.3533
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0098 0.2344 0.3536
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1031 0.5
Schistosoma mansoni hypothetical protein 0.0211 0.6456 1
Loa Loa (eye worm) RNA binding protein 0.0192 0.5755 0.5552
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0048 0.0553 0.1695
Echinococcus multilocularis GPCR, family 2 0.0098 0.2344 0.3536
Loa Loa (eye worm) hypothetical protein 0.0098 0.2344 0.1978
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1031 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0553 0.0143
Brugia malayi glutathione reductase 0.0046 0.0456 0.0456
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0098 0.2344 0.2344
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0309 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0048 0.0553 0.0143
Schistosoma mansoni tar DNA-binding protein 0.0192 0.5755 0.8812
Trypanosoma brucei protein kinase, putative 0.0062 0.1031 1
Schistosoma mansoni hypothetical protein 0.0098 0.2344 0.3033
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1031 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0098 0.2344 0.3536
Echinococcus granulosus GPCR family 2 0.0098 0.2344 0.3536
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.2999 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0553 0.0143
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1031 0.0809
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0048 0.0553 0.4798

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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