Detailed information for compound 1422167

Basic information

Technical information
  • TDR Targets ID: 1422167
  • Name: N-(furan-2-ylmethyl)-2-[[4-oxo-3-(3-pyrrolidi n-1-ylpropyl)-[1]benzothiolo[3,2-d]pyrimidin- 2-yl]sulfanyl]acetamide
  • MW: 482.618 | Formula: C24H26N4O3S2
  • H donors: 1 H acceptors: 2 LogP: 3.99 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccco1)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCCC1
  • InChi: 1S/C24H26N4O3S2/c29-20(25-15-17-7-5-14-31-17)16-32-24-26-21-18-8-1-2-9-19(18)33-22(21)23(30)28(24)13-6-12-27-10-3-4-11-27/h1-2,5,7-9,14H,3-4,6,10-13,15-16H2,(H,25,29)
  • InChiKey: VEFSFFLGADFVLS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)-2-[4-oxo-3-(3-pyrrolidin-1-ylpropyl)benzothiopheno[3,2-d]pyrimidin-2-yl]sulfanyl-acetamide
  • N-(2-furylmethyl)-2-[[4-oxo-3-(3-1-pyrrolidinylpropyl)-2-benzothiopheno[3,2-d]pyrimidinyl]thio]acetamide
  • N-(2-furylmethyl)-2-[[4-keto-3-(3-pyrrolidin-1-ylpropyl)benzothiopheno[3,2-d]pyrimidin-2-yl]thio]acetamide
  • N-(furan-2-ylmethyl)-2-[[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide
  • MLS000660991
  • N-(2-furylmethyl)-2-{[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
  • SMR000310629

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni NADP-specific 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Toxoplasma gondii isocitrate dehydrogenase 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
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 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 granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei 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
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase 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
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi 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
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative 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
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) 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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
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
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative 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
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 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0024 0.9997
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0169 0.7028
Schistosoma mansoni hypothetical protein 0.0389 0.1247 0.2595
Loa Loa (eye worm) latrophilin receptor protein 2 0.0389 0.1247 0.1227
Loa Loa (eye worm) hypothetical protein 0.0041 0.0024 0.0001
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0169 0.7028
Loa Loa (eye worm) MH2 domain-containing protein 0.0088 0.019 0.0167
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3323 0.6997
Trichomonas vaginalis rotamase, putative 0.004 0.0023 0.7842
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0169 1
Loa Loa (eye worm) transcription factor SMAD2 0.2879 1 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0088 0.019 0.0353
Loa Loa (eye worm) hypothetical protein 0.0389 0.1247 0.1227
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1228 0.4198 0.4198
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0169 1
Schistosoma mansoni smad 0.0088 0.019 0.0353
Echinococcus multilocularis mothers against decapentaplegic 6 0.0088 0.019 0.0353
Schistosoma mansoni hypothetical protein 0.0205 0.0601 0.1224
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0041 0.0024 0.9997
Echinococcus multilocularis mothers against decapentaplegic 2 0.0088 0.019 0.0353
Schistosoma mansoni hypothetical protein 0.0058 0.0086 0.0133
Echinococcus granulosus mothers against decapentaplegic 6 0.0088 0.019 0.0353
Schistosoma mansoni hypothetical protein 0.0389 0.1247 0.2595
Loa Loa (eye worm) hypothetical protein 0.0041 0.0024 0.0001
Echinococcus multilocularis Smad4 0.0196 0.0571 0.1161
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0099 0.0231 0.044
Loa Loa (eye worm) hypothetical protein 0.039 0.1252 0.1231
Loa Loa (eye worm) hypothetical protein 0.0041 0.0024 0.0001
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0099 0.0229 0.0435
Loa Loa (eye worm) hypothetical protein 0.0041 0.0024 0.0001
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0169 0.7088
Onchocerca volvulus 0.0058 0.0086 0.0505
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0169 0.031
Brugia malayi MH2 domain containing protein 0.0196 0.0571 0.0571
Brugia malayi hypothetical protein 0.0182 0.0523 0.0523
Brugia malayi MH1 domain containing protein 0.0196 0.0571 0.0571
Loa Loa (eye worm) hypothetical protein 0.0088 0.019 0.0167
Entamoeba histolytica hypothetical protein 0.0041 0.0024 0.9997
Schistosoma mansoni Smad4 0.0088 0.019 0.0353
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0065 0.2137
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0023 0.7842
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0231 0.044
Echinococcus multilocularis smad 0.0196 0.0571 0.1161
Loa Loa (eye worm) isocitrate dehydrogenase 0.0099 0.0231 0.0208
Loa Loa (eye worm) hypothetical protein 0.0082 0.0169 0.0146
Schistosoma mansoni smad1 5 8 and 0.0196 0.0571 0.1161
Brugia malayi Probable ClpP-like protease 0.0082 0.0169 0.0169
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0169 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0169 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0065 0.0042
Echinococcus granulosus GPCR family 2 0.0389 0.1247 0.2595
Brugia malayi MH2 domain containing protein 0.0088 0.019 0.019
Brugia malayi RNA recognition motif domain containing protein 0.1382 0.4739 0.4739
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0389 0.1247 0.2595
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1228 0.4198 0.4184
Schistosoma mansoni tar DNA-binding protein 0.1382 0.4739 1
Schistosoma mansoni DNA ligase IV 0.0041 0.0024 0.0002
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0389 0.1247 0.2595
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0169 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0885 0.1828
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0099 0.0229 0.0435
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0231 1
Brugia malayi Isocitrate dehydrogenase 0.0099 0.0231 0.0231
Echinococcus granulosus mothers against decapentaplegic 5 0.0196 0.0571 0.1161
Echinococcus multilocularis mothers against decapentaplegic 5 0.0196 0.0571 0.1161
Brugia malayi RNA binding protein 0.1382 0.4739 0.4739
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0024 0.0202
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0169 0.7088
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0024 0.9997
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0041 0.0024 0.0024
Loa Loa (eye worm) Smad1 0.0196 0.0571 0.0549
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0041 0.0024 1
Echinococcus multilocularis GPCR, family 2 0.0389 0.1247 0.2595
Echinococcus multilocularis nibrin 0.0041 0.0024 0.0002
Loa Loa (eye worm) hypothetical protein 0.1228 0.4198 0.4184
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0024 0.9997
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0041 0.0024 0.0202
Brugia malayi topoisomerase 0.0041 0.0024 0.0024
Echinococcus granulosus replication factor c subunit 1 0.0041 0.0024 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0024 0.9997
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0065 0.1975
Echinococcus multilocularis tar DNA binding protein 0.1382 0.4739 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0196 0.0571 0.1161
Echinococcus granulosus smad 0.0196 0.0571 0.1161
Loa Loa (eye worm) hypothetical protein 0.0182 0.0523 0.0501
Loa Loa (eye worm) RNA binding protein 0.1382 0.4739 0.4727
Echinococcus multilocularis FTZ F1 alpha 0.0099 0.0229 0.0435
Brugia malayi DKFZp564C0469 protein 0.0041 0.0024 0.0024
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.007 0.0099
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.039 0.1252 1
Brugia malayi latrophilin 2 splice variant baaae 0.084 0.2832 0.2832
Trypanosoma cruzi FHA domain containing protein, putative 0.0041 0.0024 0.0202
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0389 0.1247 0.2595
Schistosoma mansoni tar DNA-binding protein 0.1382 0.4739 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0099 0.0229 0.0229
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0024 0.9997
Brugia malayi MH1 domain containing protein 0.0108 0.0263 0.0263
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0041 0.0024 0.0001
Echinococcus multilocularis replication factor c subunit 1 0.0041 0.0024 0.0002
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0065 0.1975
Toxoplasma gondii ATPase, AAA family protein 0.0041 0.0024 0.0202
Schistosoma mansoni hypothetical protein 0.0389 0.1247 0.2595
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0231 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0231 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0088 0.019 0.0167
Schistosoma mansoni topbp1 0.0041 0.0024 0.0002
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0088 0.019 0.1348
Schistosoma mansoni chromosome transmission fidelity factor 0.0041 0.0024 0.0002
Echinococcus multilocularis isocitrate dehydrogenase 0.0099 0.0231 0.044
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0041 0.0024 0.0202
Brugia malayi MH1 domain containing protein 0.0196 0.0571 0.0571
Brugia malayi isocitrate dehydrogenase 0.0099 0.0231 0.0231
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0169 1
Brugia malayi hypothetical protein 0.0041 0.0024 0.0024
Loa Loa (eye worm) nuclear factor I 0.0108 0.0263 0.024
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0099 0.0229 0.0229
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0065 0.1975
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0086 0.0086
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0099 0.0231 0.044
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0099 0.0231 0.044
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0065 0.2137
Echinococcus granulosus Smad4 0.0196 0.0571 0.1161
Trichomonas vaginalis replication factor C large subunit, putative 0.0041 0.0024 1
Schistosoma mansoni smad 0.0196 0.0571 0.1161
Loa Loa (eye worm) hypothetical protein 0.0108 0.0263 0.024
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0169 0.031
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.007 0.0099
Schistosoma mansoni hypothetical protein 0.0389 0.1247 0.2595
Brugia malayi Latrophilin receptor protein 2 0.0389 0.1247 0.1247
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0099 0.0231 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0099 0.0229 0.0435
Echinococcus granulosus tar DNA binding protein 0.1382 0.4739 1
Loa Loa (eye worm) TAR-binding protein 0.1382 0.4739 0.4727
Brugia malayi hypothetical protein 0.0286 0.0885 0.0885
Loa Loa (eye worm) hypothetical protein 0.0286 0.0885 0.0864
Loa Loa (eye worm) MH2 domain-containing protein 0.0196 0.0571 0.0549
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0099 0.0231 1
Brugia malayi MH1 domain containing protein 0.0108 0.0263 0.0263
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0231 0.044
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0885 0.1828
Brugia malayi MH2 domain containing protein 0.0196 0.0571 0.0571
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0099 0.0231 1
Brugia malayi Pax transcription activation domain interacting protein 0.0041 0.0024 0.0024
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0065 0.2137
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0041 0.0024 0.0202
Leishmania major hypothetical protein, conserved 0.0052 0.0065 0.2137
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0041 0.0024 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0169 0.031
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0389 0.1247 0.1247
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0099 0.0231 1
Schistosoma mansoni tar DNA-binding protein 0.1382 0.4739 1
Schistosoma mansoni smad1 5 8 and 0.0196 0.0571 0.1161
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0041 0.0024 0.9997
Echinococcus granulosus TGF beta signal transducer SmadC 0.0196 0.0571 0.1161
Echinococcus multilocularis geminin 0.0205 0.0601 0.1224
Schistosoma mansoni Smad4 0.0088 0.019 0.0353
Schistosoma mansoni topbp1 0.0041 0.0024 0.0002
Echinococcus granulosus FTZ F1 alpha 0.0392 0.126 0.2623
Brugia malayi N-terminal motif family protein 0.039 0.1252 0.1252
Loa Loa (eye worm) MH1 domain-containing protein 0.0196 0.0571 0.0549
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0389 0.1247 0.2595
Schistosoma mansoni Smad4 0.0196 0.0571 0.1161
Onchocerca volvulus 0.0182 0.0523 0.4062
Schistosoma mansoni tar DNA-binding protein 0.1382 0.4739 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0024 0.0001
Brugia malayi mothers against decapentaplegic homolog 3 0.0088 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.084 0.2832 0.2815
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0169 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0229 0.0206
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0024 0.0202
Schistosoma mansoni tar DNA-binding protein 0.1382 0.4739 1
Schistosoma mansoni hypothetical protein 0.0079 0.016 0.0289
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0196 0.0571 0.1161
Loa Loa (eye worm) MH2 domain-containing protein 0.2879 1 1
Giardia lamblia Replication factor C, subunit 1 0.0041 0.0024 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.0601 0.1224
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0099 0.0231 1
Brugia malayi hypothetical protein 0.0052 0.0065 0.0065
Schistosoma mansoni smad1 5 8 and 0.0196 0.0571 0.1161
Schistosoma mansoni hypothetical protein 0.084 0.2832 0.5956
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1382 0.4739 0.4727
Echinococcus granulosus nibrin 0.0041 0.0024 0.0002
Brugia malayi Calcitonin receptor-like protein seb-1 0.1228 0.4198 0.4198
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0231 0.044
Toxoplasma gondii isocitrate dehydrogenase 0.0099 0.0231 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0041 0.0024 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.007 0.3168
Echinococcus granulosus geminin 0.0205 0.0601 0.1224
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0065 0.2137
Brugia malayi Smad1 0.0196 0.0571 0.0571
Schistosoma mansoni survival motor neuron protein 0.0058 0.0086 0.0133
Toxoplasma gondii isocitrate dehydrogenase 0.0099 0.0231 1
Brugia malayi hypothetical protein 0.0041 0.0024 0.0024
Brugia malayi TAR-binding protein 0.1382 0.4739 0.4739

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6626 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) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.99 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) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 13.3714 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.0115 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) 29.081 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 (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 39.8107 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) = 44.6684 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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