Detailed information for compound 1455786

Basic information

Technical information
  • TDR Targets ID: 1455786
  • Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[5-(diethyls ulfamoyl)-2-methylphenyl]piperazine-1-carboth ioamide
  • MW: 504.665 | Formula: C24H32N4O4S2
  • H donors: 1 H acceptors: 2 LogP: 3.07 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(S(=O)(=O)c1ccc(c(c1)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C)CC
  • InChi: 1S/C24H32N4O4S2/c1-4-28(5-2)34(29,30)20-8-6-18(3)21(15-20)25-24(33)27-12-10-26(11-13-27)16-19-7-9-22-23(14-19)32-17-31-22/h6-9,14-15H,4-5,10-13,16-17H2,1-3H3,(H,25,33)
  • InChiKey: AEGZWUNMRWJLOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,3-benzodioxol-5-ylmethyl)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]piperazine-1-carbothioamide
  • 4-(1,3-benzodioxol-5-ylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-1-piperazinecarbothioamide
  • SMR000370287
  • T5238116
  • MLS000761387

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mus musculus wingless-type MMTV integration site family, member 3A Starlite/ChEMBL No references
Mus musculus GLI-Kruppel family member GLI1 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 granulosus zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Trypanosoma brucei 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
Neospora caninum hypothetical protein 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
Brugia malayi 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans cytosolic NADP-specific 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
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum 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
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi 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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Echinococcus granulosus NADP dependent 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Zinc finger, C2H2 type family protein Get druggable targets OG5_130785 All targets in OG5_130785
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) zinc finger protein Get druggable targets OG5_130785 All targets in OG5_130785
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis NADP dependent 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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Brugia malayi Wnt-2 protein precursor wingless-type MMTV integration site family, member 3A 352 aa 355 aa 39.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.1531 1 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0383 0.0383
Echinococcus multilocularis GPCR, family 2 0.0038 0.013 0.0126
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.013 0.0126
Schistosoma mansoni immunophilin 0.1531 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0211 0.127 0.1123
Schistosoma mansoni hypothetical protein 0.0082 0.0422 0.0422
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.013 0.0126
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0014 0.001
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0058 0.0058
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0211 0.127 0.1271
Schistosoma mansoni hypothetical protein 0.0205 0.1231 0.1231
Loa Loa (eye worm) hypothetical protein 0.012 0.0674 0.0671
Echinococcus multilocularis zinc finger transcription factor gli2 0.0373 0.2347 0.2344
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.153 0.9992 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.153 0.9992 1
Schistosoma mansoni hypothetical protein 0.0043 0.0165 0.0165
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.153 0.9992 1
Brugia malayi PHD-finger family protein 0.003 0.0077 0.0073
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0211 0.127 0.1267
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0014 0.001
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0004 0.0004
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0211 0.127 0.1123
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.153 0.9992 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.153 0.9992 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0004 0.0004
Brugia malayi hypothetical protein 0.0286 0.1766 0.1764
Trichomonas vaginalis immunophilin, putative 0.153 0.9992 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0165 0.0165
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0205 0.1231 0.1231
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.153 0.9992 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.1531 1 1
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0211 0.127 0.1271
Loa Loa (eye worm) hypothetical protein 0.0046 0.0184 0.018
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.0674 0.0671
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0355 0.0351
Echinococcus multilocularis zinc finger protein 0.0024 0.0034 0.003
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.153 0.9992 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0218 0.0215
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0014 0.0014
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0004 0.0004
Schistosoma mansoni zinc finger protein 0.0024 0.0034 0.0034
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0211 0.127 0.1271
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0211 0.127 1
Loa Loa (eye worm) FKBP5 protein 0.153 0.9992 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0211 0.127 0.1267
Schistosoma mansoni hypothetical protein 0.0038 0.013 0.013
Brugia malayi hypothetical protein 0.0043 0.0165 0.0161
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0211 0.127 1
Schistosoma mansoni hypothetical protein 0.0038 0.013 0.013
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0211 0.127 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0211 0.127 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0422 0.0419
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0211 0.127 0.1271
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0165 0.0161
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.132 0.8608 0.8608
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.153 0.9992 1
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0211 0.127 0.1271
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.153 0.9992 0.9992
Brugia malayi Latrophilin receptor protein 2 0.0038 0.013 0.0126
Schistosoma mansoni immunophilin 0.1531 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0211 0.127 0.1267
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.013 0.0126
Loa Loa (eye worm) hypothetical protein 0.0038 0.013 0.0126
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.153 0.9992 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0211 0.127 0.1266
Echinococcus granulosus geminin 0.0205 0.1231 0.1227
Echinococcus granulosus zinc finger protein 0.0024 0.0034 0.003
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0211 0.127 0.1267
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6352 0.6351
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0211 0.127 0.1271
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0422 0.0419
Schistosoma mansoni immunophilin 0.132 0.8608 0.8608
Loa Loa (eye worm) hypothetical protein 0.0021 0.0014 0.001
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.153 0.9992 1
Echinococcus multilocularis geminin 0.0205 0.1231 0.1227
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0165 0.0161
Schistosoma mansoni hypothetical protein 0.0025 0.0043 0.0043
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0165 0.0161
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1766 0.1763
Brugia malayi Bromodomain containing protein 0.0091 0.0477 0.0473
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0014 0.001
Loa Loa (eye worm) hypothetical protein 0.0085 0.0442 0.0439
Echinococcus granulosus zinc finger transcription factor gli2 0.0373 0.2347 0.2344
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.013 0.0126
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0212 0.1278 0.1275
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0211 0.127 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.127 0.1267
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0014 0.0014
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0211 0.127 0.1267
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.153 0.9992 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.1319 0.86 0.8606
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0014 0.0014
Echinococcus granulosus GPCR family 2 0.0038 0.013 0.0126
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.153 0.9992 1
Echinococcus multilocularis 0.0211 0.127 0.1266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.0674 0.0671
Loa Loa (eye worm) hypothetical protein 0.0286 0.1766 0.1764
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0058 0.0054
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.153 0.9992 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.013 0.0126
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0211 0.127 0.1271
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.153 0.9992 0.9992
Leishmania major peptidylprolyl isomerase-like protein 0.153 0.9992 1
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0211 0.127 0.1271
Brugia malayi Bromodomain containing protein 0.0046 0.0184 0.018
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.153 0.9992 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0004 0.0004
Echinococcus multilocularis fk506 binding protein 0.153 0.9992 0.9992
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0211 0.127 0.5
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0211 0.127 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1531 1 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.153 0.9992 1
Schistosoma mansoni hypothetical protein 0.0038 0.013 0.013
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0211 0.127 0.1267
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.132 0.8608 0.8608
Trypanosoma brucei hypothetical protein, conserved 0.0211 0.127 0.1271
Loa Loa (eye worm) zinc finger protein 0.0373 0.2347 0.2346
Schistosoma mansoni fk506 binding protein 0.0211 0.127 0.127
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0211 0.127 0.1271
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0004 0.0004
Brugia malayi Zinc finger, C2H2 type family protein 0.0373 0.2347 0.2346
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0004 0.0004
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.153 0.9992 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0263 0.0259
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0058 0.0054
Onchocerca volvulus 0.0211 0.127 1
Onchocerca volvulus 0.0211 0.127 1
Schistosoma mansoni hypothetical protein 0.0211 0.127 0.127
Leishmania major fk506-binding protein 1-like protein 0.153 0.9992 1
Schistosoma mansoni hypothetical protein 0.0038 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0049 0.0203 0.0199
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0211 0.127 0.1267
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0211 0.127 0.1271
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.0674 0.0671
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0043 0.0039
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0211 0.127 0.1267
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1766 0.1763
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0211 0.127 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.013 0.0126
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0211 0.127 0.1271
Echinococcus granulosus FK506 binding protein 2 0.0211 0.127 0.1266
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0355 0.0351
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.153 0.9992 1
Schistosoma mansoni hypothetical protein 0.0058 0.0263 0.0263
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0014 0.001
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0019 0.0015
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0165 0.0161
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0211 0.127 0.5
Trichomonas vaginalis fk506-binding protein, putative 0.153 0.9992 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 2.35 uM PubChem BioAssay. Dose response validation of uHTS Gli-SUFU antagonist hits in a Wnt3a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 12.2 uM PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SUFU in a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 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) 9.1962 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 12.9953 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (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) 22.3872 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) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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 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) 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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

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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