Detailed information for compound 1348353

Basic information

Technical information
  • TDR Targets ID: 1348353
  • Name: IDI1_031009
  • MW: 383.421 | Formula: C19H17N3O4S
  • H donors: 3 H acceptors: 3 LogP: 3.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC1=C(C#N)C(=O)NC(S1)c1cccc(c1O)OC
  • InChi: 1S/C19H17N3O4S/c1-25-12-6-3-5-11(9-12)21-19-14(10-20)17(24)22-18(27-19)13-7-4-8-15(26-2)16(13)23/h3-9,18,21,23H,1-2H3,(H,22,24)
  • InChiKey: VYXNXORVNZHJAE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Maybridge4_000427
  • 2-(2-hydroxy-3-methoxyphenyl)-6-(3-methoxyanilino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
  • MLS000849852
  • SMR000455870

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi glutathione 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative 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
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione 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
Loa Loa (eye worm) glutathione reductase 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
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii prolyl endopeptidase 0.0255 0.2894 1
Trichomonas vaginalis set domain proteins, putative 0.0232 0.2592 0.6183
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4191 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0003 0.0001
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0119 0.032
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.1638 0.4508
Trypanosoma cruzi oligopeptidase b 0.0101 0.0871 0.3005
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0255 0.2894 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0057 0.0288 0.0995
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0119 0.041
Loa Loa (eye worm) glutathione reductase 0.0046 0.0138 0.0375
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.0255 0.0882
Loa Loa (eye worm) hypothetical protein 0.0255 0.2894 0.7962
Schistosoma mansoni integrin alpha 0.0152 0.1537 0.531
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0255 0.2894 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4191 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0174 0.0472
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0138 0.047
Echinococcus multilocularis calpain family protein 1, d 0.004 0.0065 0.0065
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0138 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.1049 0.2883
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4191 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4191 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4191 1
Echinococcus granulosus geminin 0.0166 0.1722 0.5952
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0255 0.2894 1
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0228 0.2542 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0057 0.0288 0.0995
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4191 1
Schistosoma mansoni integrin alpha-ps 0.0068 0.0433 0.1495
Brugia malayi hypothetical protein 0.0231 0.2587 0.712
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1064 0.385
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0115 0.1049 0.2887
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0248 0.0857
Echinococcus granulosus integrin alpha ps 0.0068 0.0433 0.1495
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4191 1
Schistosoma mansoni hypothetical protein 0.0166 0.1722 0.5952
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.2221 0.611
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0101 0.0871 0.3005
Brugia malayi calpain family protein 1 0.0055 0.0255 0.0703
Echinococcus multilocularis geminin 0.0166 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0084 0.064 0.1755
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.2587 0.894
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0146 0.0506
Brugia malayi glutathione reductase 0.0046 0.0138 0.0381
Echinococcus multilocularis integrin beta 2 0.023 0.2572 0.2572
Brugia malayi Thioredoxin reductase 0.0046 0.0138 0.0381
Brugia malayi Kelch motif family protein 0.0047 0.0158 0.0436
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0119 0.0119
Plasmodium falciparum thioredoxin reductase 0.0046 0.0138 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.091 0.3212
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0101 0.0871 0.3005
Echinococcus granulosus integrin alpha 3 0.0116 0.107 0.3696
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.091 0.3212
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1064 0.2049
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.091 0.3212
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0138 0.0375
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0002 0.0005
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4191 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0119 0.041
Loa Loa (eye worm) hypothetical protein 0.004 0.0065 0.0174
Trypanosoma brucei prolyl endopeptidase 0.0255 0.2894 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0002 0.0005
Schistosoma mansoni hypothetical protein 0.0166 0.1722 0.5952
Echinococcus granulosus prolyl endopeptidase 0.0255 0.2894 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.091 0.3212
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.181 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4191 1
Echinococcus multilocularis integrin alpha 3 0.0116 0.107 0.107
Brugia malayi prolyl oligopeptidase family protein 0.0255 0.2894 0.7964
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.1638 0.5661
Onchocerca volvulus Prolyl endopeptidase homolog 0.0255 0.2894 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.091 0.0415
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.1638 0.4504
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.091 0.3212
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0057 0.0288 0.0995
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0101 0.0871 0.3005
Loa Loa (eye worm) hypothetical protein 0.0047 0.0158 0.043
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0002 0.0008
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.181 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0101 0.0871 0.3005
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1638 0.1638
Schistosoma mansoni alpha-glucosidase 0.0137 0.1345 0.4649
Mycobacterium tuberculosis Probable peptidase 0.0101 0.0871 0.305
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0047 0.0158 0.043
Schistosoma mansoni alpha glucosidase 0.0035 0.0002 0.0008
Onchocerca volvulus 0.0092 0.0752 0.217
Echinococcus granulosus integrin beta 2 0.023 0.2572 0.8887
Brugia malayi Integrin alpha pat-2 precursor 0.0152 0.1537 0.4228
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4191 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0248 0.0248
Schistosoma mansoni lipoxygenase 0.0054 0.0248 0.0857
Trypanosoma cruzi prolyl endopeptidase 0.0255 0.2894 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.2587 0.7118
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0158 0.0435
Loa Loa (eye worm) calpain family protein 1 0.004 0.0065 0.0174
Echinococcus multilocularis prolyl endopeptidase 0.0255 0.2894 0.2894
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1638 0.1638
Leishmania major trypanothione reductase 0.0046 0.0138 0.047
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0101 0.0871 0.3005
Loa Loa (eye worm) hypothetical protein 0.0119 0.1107 0.3041
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0002 0.0002
Schistosoma mansoni survival motor neuron protein 0.0047 0.0158 0.0546
Leishmania major oligopeptidase b 0.0101 0.0871 0.3005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0119 0.041
Schistosoma mansoni integrin alpha-ps 0.0035 0.0003 0.001
Mycobacterium tuberculosis Probable reductase 0.0104 0.091 0.3212
Brugia malayi Pre-SET motif family protein 0.0204 0.2221 0.6113
Echinococcus multilocularis calpain A 0.0057 0.0288 0.0288
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1064 0.385
Trypanosoma brucei oligopeptidase b 0.0101 0.0871 0.3005
Plasmodium vivax glutathione reductase, putative 0.0046 0.0138 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1064 0.385
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0057 0.0288 0.0288
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4191 0.5
Echinococcus granulosus calpain A 0.0057 0.0288 0.0995
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0101 0.0871 0.305
Brugia malayi calpain family protein 1 0.0055 0.0255 0.0703
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0119 0.0119
Loa Loa (eye worm) integrin alpha pat-2 0.0234 0.262 0.7208
Loa Loa (eye worm) integrin beta-2 0.0311 0.3634 1
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0255 0.0697
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.2587 0.2587
Toxoplasma gondii thioredoxin reductase 0.0046 0.0138 0.047
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.181 0.6955
Loa Loa (eye worm) hypothetical protein 0.0055 0.0255 0.0697
Brugia malayi Integrin beta pat-3 precursor 0.0311 0.3634 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0119 0.0326
Echinococcus multilocularis integrin alpha ps 0.0068 0.0433 0.0433
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0146 0.0146
Onchocerca volvulus 0.0232 0.2592 0.8898
Trypanosoma cruzi oligopeptidase b 0.0101 0.0871 0.3005
Echinococcus multilocularis integrin alpha ps 0.0068 0.0433 0.0433
Schistosoma mansoni alpha-glucosidase 0.0137 0.1345 0.4649
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0002 0.0006
Brugia malayi hypothetical protein 0.0047 0.0158 0.0436
Schistosoma mansoni integrin beta subunit 0.0183 0.1949 0.6735
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0119 0.041
Trypanosoma brucei trypanothione reductase 0.0046 0.0138 0.047
Schistosoma mansoni hypothetical protein 0.0047 0.0158 0.0546
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4191 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0119 0.041
Plasmodium falciparum glutathione reductase 0.0046 0.0138 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 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 (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) = 15.8114 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Giardia lamblia growth inhibition. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Primary screen confirmation. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ] ChEMBL. No reference
Potency (binding) = 31.6228 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) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 44.6684 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) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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