Detailed information for compound 1400957

Basic information

Technical information
  • TDR Targets ID: 1400957
  • Name: 6-methyl-2-[2-(phenoxy)ethylsulfanyl]-7,8-dih ydro-5H-1,6-naphthyridine-3-carbonitrile
  • MW: 325.428 | Formula: C18H19N3OS
  • H donors: 0 H acceptors: 2 LogP: 2.99 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc2CN(C)CCc2nc1SCCOc1ccccc1
  • InChi: 1S/C18H19N3OS/c1-21-8-7-17-15(13-21)11-14(12-19)18(20-17)23-10-9-22-16-5-3-2-4-6-16/h2-6,11H,7-10,13H2,1H3
  • InChiKey: PVINTFPXPQAQMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methyl-2-[2-(phenoxy)ethylthio]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
  • SS-0704
  • BAS 06899939
  • 6-methyl-2-[(2-phenoxyethyl)thio]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
  • MLS000064457
  • SMR000078198

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0126 0.0035
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0412 0.0412
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0654 0.13
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0126 0.0122
Echinococcus multilocularis RUN 0.0024 0.0158 0.0046
Loa Loa (eye worm) hypothetical protein 0.0425 0.5034 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0158 0.0046
Plasmodium vivax glutathione reductase, putative 0.0063 0.064 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0711 0.13
Echinococcus multilocularis thioredoxin glutathione reductase 0.0063 0.064 0.0533
Brugia malayi Fibroblast growth factor family protein 0.0425 0.5034 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0063 0.064 0.0533
Brugia malayi Thioredoxin reductase 0.0063 0.064 0.1157
Schistosoma mansoni loxhd1 0.0024 0.0158 0.0158
Schistosoma mansoni polycystin 1-related 0.0024 0.0158 0.0158
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0412 0.5668
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0022 0.0136 0.2128
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0022 0.0136 0.0136
Schistosoma mansoni rab6-interacting 0.0024 0.0158 0.0158
Loa Loa (eye worm) glutaminase 0.033 0.3882 0.7713
Loa Loa (eye worm) RecQ helicase 0.0021 0.0126 0.025
Brugia malayi Pre-SET motif family protein 0.0251 0.2924 0.5755
Loa Loa (eye worm) glutaminase 2 0.033 0.3882 0.7713
Loa Loa (eye worm) hypothetical protein 0.0425 0.5034 1
Giardia lamblia Hypothetical protein 0.0425 0.5034 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0412 0.0302
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0126 0.0035
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.0136 0.0442
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.0126 0.0013
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.0136 0.0389
Entamoeba histolytica recQ family helicase, putative 0.0021 0.0126 0.3061
Trypanosoma cruzi trypanothione reductase, putative 0.0022 0.0136 0.0442
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0412 0.0793
Schistosoma mansoni DNA helicase recq5 0.0021 0.0126 0.0126
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0126 0.0035
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0711 1
Brugia malayi hypothetical protein 0.0024 0.0158 0.0187
Mycobacterium tuberculosis Probable oxidoreductase 0.0022 0.0136 0.0389
Schistosoma mansoni lipoxygenase 0.0067 0.0679 0.0679
Brugia malayi glutaminase DH11.1 0.033 0.3882 0.7682
Loa Loa (eye worm) hypothetical protein 0.0021 0.0126 0.025
Loa Loa (eye worm) hypothetical protein 0.0129 0.1438 0.2857
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0158 0.0046
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0126 0.0249
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0711 0.0605
Plasmodium vivax SET domain protein, putative 0.0036 0.0307 0.4798
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0595 0.0595
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0022 0.0136 0.0389
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0412 0.0302
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0126 0.1969
Brugia malayi Fibroblast growth factor family protein 0.0425 0.5034 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0063 0.064 0.8815
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0412 0.4997
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0711 0.0605
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0711 0.1587
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0136 0.0442
Loa Loa (eye worm) glutathione reductase 0.0063 0.064 0.1272
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0412 0.0302
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0711 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0595 0.1182
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0412 0.5668
Brugia malayi glutathione reductase 0.0063 0.064 0.1157
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.0126 0.025
Brugia malayi Protein kinase domain containing protein 0.0129 0.1438 0.2763
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0126 0.022
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.0136 0.0389
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0412 0.0302
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0412 0.0698
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0412 0.5668
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0412 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0136 0.0442
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0022 0.0136 0.2128
Echinococcus multilocularis tumor protein p63 0.0408 0.483 0.4771
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.0126 0.0249
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0022 0.0136 0.0389
Toxoplasma gondii exonuclease III APE 0.002 0.0113 0.1764
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0158 0.0046
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0022 0.0136 1
Plasmodium vivax thioredoxin reductase, putative 0.0063 0.064 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0307 0.0196
Loa Loa (eye worm) hypothetical protein 0.0036 0.0307 0.061
Toxoplasma gondii NADPH-glutathione reductase 0.0022 0.0136 0.2128
Echinococcus granulosus bloom syndrome protein 0.0021 0.0126 0.0013
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.0136 0.0442
Trypanosoma cruzi trypanothione reductase, putative 0.0063 0.064 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0158 0.2474
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0307 0.0307
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0022 0.0136 0.0389
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0679 0.0573
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0113 0.2742
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0022 0.0136 0.0062
Schistosoma mansoni hypothetical protein 0.0024 0.0158 0.0158
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0307 0.0196
Treponema pallidum NADH oxidase 0.0022 0.0136 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0022 0.0136 0.0442
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0307 0.0196
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0022 0.0136 0.0442
Plasmodium falciparum glutathione reductase 0.0022 0.0136 0.0442
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0158 0.0046
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.0126 0.0013
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0113 0.8291
Plasmodium falciparum thioredoxin reductase 0.0063 0.064 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0022 0.0136 0.0062
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0412 0.0607
Onchocerca volvulus 0.0286 0.3347 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0022 0.0136 0.0442
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0022 0.0136 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0679 0.0573
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0126 0.0122
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0022 0.0136 0.0442
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0412 0.0302
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.0126 0.0013
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0307 0.4798
Toxoplasma gondii thioredoxin reductase 0.0063 0.064 1
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0126 0.0013
Echinococcus granulosus RUN 0.0024 0.0158 0.0046
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0022 0.0136 0.0024
Plasmodium falciparum thioredoxin reductase 0.0022 0.0136 0.0442
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0307 0.0307
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0412 0.0793
Onchocerca volvulus 0.006 0.0595 0.137
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2924 0.581
Loa Loa (eye worm) hypothetical protein 0.0024 0.0158 0.0315
Schistosoma mansoni rab6-interacting 0.0024 0.0158 0.0158
Echinococcus granulosus tumor protein p63 0.0408 0.483 0.4771
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0113 0.0096
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0412 0.0793
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.0136 0.0442
Trichomonas vaginalis mercuric reductase, putative 0.0022 0.0136 0.0062
Brugia malayi Pre-SET motif family protein 0.0036 0.0307 0.0487
Schistosoma mansoni lipoxygenase 0.0024 0.0158 0.0158
Giardia lamblia Sgs1 DNA helicase, putative 0.0021 0.0126 0.0027
Schistosoma mansoni DNA helicase recq1 0.0021 0.0126 0.0126
Onchocerca volvulus 0.0036 0.0307 0.0467
Loa Loa (eye worm) thioredoxin reductase 0.0063 0.064 0.1272
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0022 0.0136 0.0143
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.0126 0.0013
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0136 0.0442
Plasmodium falciparum glutathione reductase 0.0063 0.064 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0136 0.0442
Trichomonas vaginalis glutathione reductase, putative 0.0022 0.0136 0.0062
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0412 0.0412
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0158 0.0046
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0307 0.0307
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0711 0.1587
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0022 0.0136 0.0389
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0126 0.1969
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0022 0.0136 0.0062
Trichomonas vaginalis glutaminase, putative 0.033 0.3882 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0136 0.0442
Giardia lamblia NADH oxidase lateral transfer candidate 0.0022 0.0136 0.0047
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0022 0.0136 0.2128
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0126 0.0249
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0136 0.0442
Schistosoma mansoni glutaminase 0.033 0.3882 0.3882
Schistosoma mansoni ap endonuclease 0.002 0.0113 0.0113
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0126 0.0122
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0158 0.0315
Leishmania major trypanothione reductase 0.0063 0.064 0.8815
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0022 0.0136 0.0024
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0158 0.0862
Schistosoma mansoni ap endonuclease 0.002 0.0113 0.0113
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0291 0.018
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0158 0.0046
Mycobacterium ulcerans glutaminase 0.033 0.3882 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0158 0.0315
Loa Loa (eye worm) hypothetical protein 0.0045 0.0412 0.0818
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0022 0.0136 0.5
Trypanosoma brucei trypanothione reductase 0.0063 0.064 1
Brugia malayi hypothetical protein 0.0024 0.0158 0.0187
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3347 0.8579
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0711 0.0711
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0022 0.0136 1
Brugia malayi Doublecortin family protein 0.0024 0.0158 0.0187
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0307 0.0307
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0113 0.1764
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0126 0.0249
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0412 0.0302
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0022 0.0136 0.0389
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.0136 0.0442
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0113 0.0224

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 12.5893 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) 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) = 39.8107 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) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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

No literature references available for this target.

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