Detailed information for compound 1270364

Basic information

Technical information
  • TDR Targets ID: 1270364
  • Name: 6-(3-ethoxyphenyl)-3-furan-2-yl-[1,2,4]triazo lo[3,4-b][1,3,4]thiadiazole
  • MW: 312.346 | Formula: C15H12N4O2S
  • H donors: 0 H acceptors: 3 LogP: 3.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccco1
  • InChi: 1S/C15H12N4O2S/c1-2-20-11-6-3-5-10(9-11)14-18-19-13(12-7-4-8-21-12)16-17-15(19)22-14/h3-9H,2H2,1H3
  • InChiKey: AKWTVMAIUSIXCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(3-ethoxyphenyl)-3-(2-furyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
  • MLS000081188
  • AO-365/43300938
  • ST5375203
  • SMR000043616
  • ZINC00530847

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens sirtuin 1 Starlite/ChEMBL References
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01463 sirtuin 1 (silent mating type information regulation 2, homolog) 1 [EC:3.5.1.-], putative Get druggable targets OG5_129944 All targets in OG5_129944
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_129944 All targets in OG5_129944
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129944 All targets in OG5_129944
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Giardia lamblia NAD-dependent histone deacetylase Sir2 Get druggable targets OG5_129944 All targets in OG5_129944
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum expressed protein Get druggable targets OG5_129944 All targets in OG5_129944
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129944 All targets in OG5_129944
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 Get druggable targets OG5_129944 All targets in OG5_129944
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 Get druggable targets OG5_129944 All targets in OG5_129944
Candida albicans one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase Get druggable targets OG5_129944 All targets in OG5_129944
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi NAD-dependent deacetylase SIRT1 Get druggable targets OG5_129944 All targets in OG5_129944
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase Get druggable targets OG5_129944 All targets in OG5_129944
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0347 0.057 0.057
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.1055 0.2226 0.2226
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0258 0.0363 0.0363
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0235 0.0308 0.2804
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Echinococcus multilocularis Zinc finger, PHD finger 0.0258 0.0363 0.0363
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0347 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1493 0.3253 0.9306
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0258 0.0363 0.1037
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0573 0.1098 0.3142
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0216 0.0262 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.002 0.0057
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0418 0.0736 0.4509
Echinococcus multilocularis serine protein kinase ATM 0.0216 0.0262 0.0262
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0258 0.0363 0.0363
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0258 0.0363 0.6358
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Toxoplasma gondii target of rapamycin (TOR), putative 0.0347 0.057 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0151 0.0111 0.0111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Loa Loa (eye worm) phosphatidylinositol 3 0.0469 0.0856 0.1443
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0216 0.0262 0.0262
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1115 0.2367 0.6773
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0258 0.0363 0.0544
Schistosoma mansoni chromatin regulatory protein sir2 0.0151 0.0111 0.0166
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0258 0.0363 0.6358
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0258 0.0363 0.1037
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4375 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0347 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Loa Loa (eye worm) hypothetical protein 0.0542 0.1026 0.173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1355 0.293 0.8383
Loa Loa (eye worm) hypothetical protein 0.0235 0.0308 0.0519
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0347 0.057 0.5193
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0235 0.0308 0.5399
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.205 0.205
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0347 0.057 0.1609
Loa Loa (eye worm) hypothetical protein 0.0151 0.0111 0.0187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.2952 0.6668 0.6668
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0347 0.057 0.057
Giardia lamblia GTOR 0.0347 0.057 0.3495
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0258 0.0363 0.1037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0347 0.057 0.1632
Loa Loa (eye worm) phosphatidylinositol 3 0.0347 0.057 0.0961
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0469 0.0856 0.2448
Entamoeba histolytica protein kinase rad3, putative 0.0216 0.0262 0.0751
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0347 0.057 0.1632
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0347 0.057 0.1632
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0258 0.0363 0.0611
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0573 0.1098 0.1647
Trypanosoma cruzi target of rapamycin kinase 3 0.0347 0.057 0.1632
Schistosoma mansoni hypothetical protein 0.0132 0.0065 0.0098
Toxoplasma gondii FATC domain-containing protein 0.0216 0.0262 0.4601
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0258 0.0363 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Brugia malayi Pre-SET motif family protein 0.0251 0.0346 0.0989
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0347 0.057 0.1609
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1597 0.3495 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2952 0.6668 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Leishmania major hypothetical protein, conserved 0.1618 0.3545 1
Entamoeba histolytica hypothetical protein 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1282 0.276 0.7895
Loa Loa (eye worm) hypothetical protein 0.1055 0.2226 0.3753
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0151 0.0111 0.0317
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0347 0.057 0.057
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0216 0.0262 0.2389
Leishmania major phosphatidylinositol 3-kinase, putative 0.0258 0.0363 0.1023
Brugia malayi FAT domain containing protein 0.0132 0.0065 0.0187
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0258 0.0363 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0347 0.057 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0151 0.0111 0.0679
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0112 0.002 0.0057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0235 0.0308 0.0881
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0151 0.0111 0.0317
Loa Loa (eye worm) phosphatidylinositol 3 0.2638 0.5932 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0408 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.074 0.1491 0.4265
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0347 0.057 0.5193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1055 0.2226 0.6369
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Trichomonas vaginalis conserved hypothetical protein 0.0235 0.0308 0.0881
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0347 0.057 0.5193
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0258 0.0363 0.1037
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0258 0.0363 0.1037
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0258 0.0363 0.1037
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0573 0.1098 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0216 0.0262 0.0394
Loa Loa (eye worm) hypothetical protein 0.0216 0.0262 0.0442
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0258 0.0363 0.1037
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0347 0.057 0.5193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0347 0.057 0.1632
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0347 0.057 0.5193
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0132 0.0065 0.0065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1597 0.3495 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.1055 0.2226 0.2226
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Onchocerca volvulus 0.0286 0.0427 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0258 0.0363 0.1037
Loa Loa (eye worm) phosphatidylinositol 3 0.0347 0.057 0.0961
Loa Loa (eye worm) hypothetical protein 0.0112 0.002 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Schistosoma mansoni fkbp-rapamycin associated protein 0.0216 0.0262 0.0394
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0347 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Echinococcus granulosus serine protein kinase ATM 0.0216 0.0262 0.0262
Brugia malayi NAD-dependent deacetylase SIRT1 0.0151 0.0111 0.0317
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2952 0.6668 0.6668
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0427 0.1222
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0216 0.0262 0.0751
Trichomonas vaginalis conserved hypothetical protein 0.0132 0.0065 0.0187
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1597 0.3495 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0132 0.0065 0.0065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0151 0.0111 0.0317
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0573 0.1098 0.3142
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0573 0.1098 0.3142
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0573 0.1098 0.3142
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0801 0.1632 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0151 0.0111 0.0317
Loa Loa (eye worm) hypothetical protein 0.0132 0.0065 0.011
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0216 0.0262 0.0751
Trypanosoma cruzi hypothetical protein, conserved 0.1514 0.3303 0.9449
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0258 0.0363 0.3301
Leishmania major phosphatidylinositol 3-kinase, putative 0.0347 0.057 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Mycobacterium leprae conserved hypothetical protein 0.0104 0 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0258 0.0363 0.0544
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0347 0.057 0.1632
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1115 0.2367 0.6773
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1597 0.3495 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0347 0.057 0.0855
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1597 0.3495 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.057 0.1632
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0347 0.057 0.1609
Loa Loa (eye worm) hypothetical protein 0.0131 0.0064 0.0109
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0258 0.0363 0.0363
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0258 0.0363 0.1023
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0346 0.0583
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0151 0.0111 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.002 0.0057
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1597 0.3495 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1597 0.3495 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0573 0.1098 0.3142
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0347 0.057 0.057
Entamoeba histolytica hypothetical protein 0.1282 0.276 0.7895
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0347 0.057 0.0855
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0573 0.1098 0.3142
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0573 0.1098 0.3142

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 19 uM Inhibition of hexa-His-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibition of deacetylation of peptide after 45 mins by fluorescence assay ChEMBL. 24880902
IC50 (functional) 67.054 uM PubChem BioAssay. Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9: TR-FRET-based biochemical high throughput dose response assay to identify small molecules that bind to the control antibody, PGV04, which binds to a distinct site on the HIV envelope different from the PG9 binding site. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 67.054 uM PubChem BioAssay. TRFRET-based biochemical high throughput dose response assay for small molecules that bind to the HIV-1-gp120 binding antibody, PG9. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 67.054 uM PubChem BioAssay. Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9: TR-FRET-based biochemical high throughput dose response assay to identify small molecules that bind to the control antibody, PG126, which binds to a distinct site on the HIV envelope different from the PG9 binding site. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 14.581 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) 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 25.1189 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] 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) = 37.6505 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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