Detailed information for compound 1373211

Basic information

Technical information
  • TDR Targets ID: 1373211
  • Name: 3-amino-N,N-diethyl-4-[4-(2-methoxyphenyl)pip erazin-1-yl]benzenesulfonamide
  • MW: 418.553 | Formula: C21H30N4O3S
  • H donors: 1 H acceptors: 2 LogP: 2.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(c(c1)N)N1CCN(CC1)c1ccccc1OC)CC
  • InChi: 1S/C21H30N4O3S/c1-4-25(5-2)29(26,27)17-10-11-19(18(22)16-17)23-12-14-24(15-13-23)20-8-6-7-9-21(20)28-3/h6-11,16H,4-5,12-15,22H2,1-3H3
  • InChiKey: JHLQDOPYNDWWEY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-N,N-diethyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]benzenesulfonamide
  • T5215331
  • ZINC03887128

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0019 0.0069 0.0734
Plasmodium falciparum alpha/beta hydrolase, putative 0.0021 0.0093 0.0256
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0069 0.0069
Plasmodium falciparum epoxide hydrolase 2 0.0021 0.0093 0.0256
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0069 0.0069
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0069 0.0734
Plasmodium falciparum alpha/beta hydrolase, putative 0.0021 0.0093 0.0256
Toxoplasma gondii phospholipase/carboxylesterase 0.0021 0.0093 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0443 0.4733
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0443 0.4733
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0093 0.0256
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0021 0.0093 0.0256
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0021 0.0093 0.0256
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0363 0.3621 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.099
Entamoeba histolytica hypothetical protein 0.0043 0.0321 0.0647
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0069 0.0069
Plasmodium falciparum exported lipase 2 0.0021 0.0093 0.0256
Plasmodium falciparum lysophospholipase, putative 0.0363 0.3621 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0069 0.0737
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0021 0.0093 0.099
Trichomonas vaginalis conserved hypothetical protein 0.0363 0.3621 1
Trichomonas vaginalis conserved hypothetical protein 0.0363 0.3621 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.0021 0.0093 0.0256
Brugia malayi isocitrate dehydrogenase 0.0019 0.0069 0.0737
Plasmodium falciparum lysophospholipase, putative 0.0021 0.0093 0.0256
Plasmodium falciparum lysophospholipase, putative 0.0363 0.3621 1
Plasmodium vivax unspecified product 0.0021 0.0093 0.0256
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.099
Echinococcus multilocularis GPCR, family 2 0.0019 0.0069 0.0069
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0021 0.0093 0.0256
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0443 0.4733
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0443 0.4733
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0021 0.0093 0.0256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0443 0.0443
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0069 0.0737
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0103 0.0936 0.0936
Leishmania major monoglyceride lipase, putative 0.0363 0.3621 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0297 0.3177
Chlamydia trachomatis hydrolase 0.0021 0.0093 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0363 0.3621 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.0021 0.0093 0.0256
Schistosoma mansoni hypothetical protein 0.0019 0.0069 0.0734
Loa Loa (eye worm) hypothetical protein 0.006 0.0494 0.5282
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0069 0.0069
Schistosoma mansoni hypothetical protein 0.0019 0.0069 0.0734
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0363 0.3621 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0 0.5
Toxoplasma gondii hypothetical protein 0.0021 0.0093 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0069 0.019
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0093 0.0256
Brugia malayi MGC79044 protein 0.0021 0.0093 0.099
Echinococcus granulosus fatty acid amide hydrolase 1 0.0103 0.0936 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0069 0.019
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0021 0.0093 0.0093
Plasmodium vivax PST-A protein 0.0021 0.0093 0.0256
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0069 0.019
Plasmodium falciparum esterase, putative 0.0021 0.0093 0.0256
Trypanosoma brucei monoglyceride lipase, putative 0.0363 0.3621 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0321 0.343
Toxoplasma gondii hypothetical protein 0.0021 0.0093 1
Plasmodium falciparum prodrug activation and resistance esterase 0.0021 0.0093 0.0256
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0363 0.3621 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0103 0.0936 1
Trypanosoma brucei monoglyceride lipase, putative 0.0363 0.3621 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0069 0.0734
Toxoplasma gondii peptidase S15, putative 0.0021 0.0093 1
Leishmania major hypothetical protein, conserved 0.0021 0.0093 0.0256
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0069 0.019
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0363 0.3621 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0321 0.0321
Echinococcus multilocularis abhydrolase domain containing 3 0.0021 0.0093 0.0093
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0069 0.0734
Brugia malayi hypothetical protein 0.0043 0.0321 0.343
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0494 0.5282
Mycobacterium tuberculosis Possible lysophospholipase 0.0363 0.3621 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.099
Mycobacterium ulcerans hydrolase 0.0021 0.0093 0.0256
Toxoplasma gondii hypothetical protein 0.0021 0.0093 1
Entamoeba histolytica hypothetical protein 0.0043 0.0321 0.0647
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0021 0.0093 0.099
Plasmodium vivax lysophospholipase, putative 0.0021 0.0093 0.0256
Schistosoma mansoni amidase 0.0103 0.0936 1
Leishmania major hypothetical protein, conserved 0.0021 0.0093 0.0256
Mycobacterium ulcerans hypothetical protein 0.0021 0.0093 0.0256
Loa Loa (eye worm) hypothetical protein 0.0103 0.0936 1
Entamoeba histolytica hypothetical protein 0.0043 0.0321 0.0647
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0021 0.0093 0.099
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0363 0.3621 1
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0093 0.0256
Plasmodium vivax lysophospholipase, putative 0.0021 0.0093 0.0256
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0443 0.4733
Plasmodium vivax PST-A protein 0.0021 0.0093 0.0256
Schistosoma mansoni hypothetical protein 0.0019 0.0069 0.0734
Echinococcus granulosus fatty acid amide hydrolase 1 0.0103 0.0936 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0069 0.019
Plasmodium vivax alpha/beta hydrolase, putative 0.0021 0.0093 0.0256
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0069 0.0734
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0021 0.0093 1
Schistosoma mansoni peptidase 0.0021 0.0093 0.099
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.099
Brugia malayi amidase 0.0103 0.0936 1
Echinococcus multilocularis Phospholipase carboxylesterase 0.0021 0.0093 0.0093
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0021 0.0093 1
Plasmodium vivax PST-A protein 0.0021 0.0093 0.0256
Entamoeba histolytica hypothetical protein 0.0043 0.0321 0.0647
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0069 0.019
Toxoplasma gondii hypothetical protein 0.0021 0.0093 1
Plasmodium vivax PST-A protein 0.0021 0.0093 0.0256
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0069 0.0734
Mycobacterium ulcerans hypothetical protein 0.0021 0.0093 0.0256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0443 0.0443
Echinococcus granulosus abhydrolase domain containing 3 0.0021 0.0093 0.099
Mycobacterium ulcerans lysophospholipase 0.0363 0.3621 1
Plasmodium vivax PST-A protein 0.0021 0.0093 0.0256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0443 0.4733
Plasmodium falciparum lysophospholipase, putative 0.0021 0.0093 0.0256
Plasmodium falciparum BEM46-like protein, putative 0.0021 0.0093 0.0256
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0069 0.0069
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0021 0.0093 0.0256
Trypanosoma cruzi monoglyceride lipase, putative 0.0363 0.3621 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0069 0.0737
Plasmodium falciparum lysophospholipase, putative 0.0363 0.3621 1
Schistosoma mansoni hypothetical protein 0.0041 0.0297 0.3177
Toxoplasma gondii phospholipase 0.0021 0.0093 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0363 0.3621 1
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0021 0.0093 1
Trypanosoma cruzi serine peptidase, putative 0.0021 0.0093 0.0256
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0021 0.0093 0.0256
Plasmodium falciparum esterase, putative 0.0021 0.0093 0.0256
Schistosoma mansoni hypothetical protein 0.0019 0.0069 0.0734
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0069 0.019
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0069 0.0069
Brugia malayi MGC83647 protein 0.0021 0.0093 0.099
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0021 0.0093 0.0256
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0363 0.3621 1
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0021 0.0093 0.0256
Echinococcus granulosus Phospholipase carboxylesterase 0.0021 0.0093 0.099
Echinococcus granulosus GPCR family 2 0.0019 0.0069 0.0734
Chlamydia trachomatis acyltransferase family protein 0.0021 0.0093 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0494 0.5282
Plasmodium falciparum alpha/beta hydrolase, putative 0.0021 0.0093 0.0256
Plasmodium vivax lysophospholipase, putative 0.0021 0.0093 0.0256
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0321 0.343
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0069 0.0069
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0021 0.0093 0.0256
Plasmodium vivax unspecified product 0.0021 0.0093 0.0256
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0363 0.3621 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0494 0.5282
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0443 0.4733
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0021 0.0093 0.5
Plasmodium vivax alpha/beta hydrolase, putative 0.0021 0.0093 0.0256
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0297 0.3177
Schistosoma mansoni hypothetical protein 0.0043 0.0321 0.343
Plasmodium falciparum esterase, putative 0.0363 0.3621 1
Toxoplasma gondii protein c14orf29, putative 0.0021 0.0093 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0069 0.019
Brugia malayi Protein C20orf22 0.0021 0.0093 0.099
Plasmodium falciparum exported lipase 1 0.0021 0.0093 0.0256
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.099
Mycobacterium ulcerans hypothetical protein 0.0363 0.3621 1
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0021 0.0093 0.0256
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0093 0.0256
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0069 0.0737
Trypanosoma cruzi serine peptidase, putative 0.0021 0.0093 0.0256
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0103 0.0936 0.0936
Plasmodium vivax PST-A protein 0.0363 0.3621 1
Echinococcus granulosus abhydrolase domain containing protein 13 0.0021 0.0093 0.099
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0021 0.0093 0.0256

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 3.2629 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5774 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.