Detailed information for compound 1399802

Basic information

Technical information
  • TDR Targets ID: 1399802
  • Name: 4-(1H-benzimidazol-2-yl)-2-phenylquinoline hy drate
  • MW: 339.39 | Formula: C22H17N3O
  • H donors: 2 H acceptors: 3 LogP: 4.6 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)c1nc2ccccc2c(c1)c1nc2c([nH]1)cccc2.O
  • InChi: 1S/C22H15N3.H2O/c1-2-8-15(9-3-1)21-14-17(16-10-4-5-11-18(16)23-21)22-24-19-12-6-7-13-20(19)25-22;/h1-14H,(H,24,25);1H2
  • InChiKey: NDLIEEWHJXGEQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(1H-benzimidazol-2-yl)-2-phenyl-quinoline hydrate
  • 4-(1H-Benzoimidazol-2-yl)-2-phenyl-quinoline
  • MLS000554416
  • SMR000146733

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
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 japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
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 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis lamin dm0 0.0033 0.0049 0.0049
Brugia malayi hypothetical protein 0.0148 0.0466 0.1022
Schistosoma mansoni metabotropic glutamate receptor 0.0042 0.0082 0.0082
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Schistosoma mansoni metabotropic glutamate receptor 0.0072 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.0148 0.0466 0.0466
Toxoplasma gondii aminopeptidase N protein 0.0148 0.0466 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0272 0.0272
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0272 0.534
Brugia malayi Peptidase family M1 containing protein 0.0148 0.0466 0.1022
Brugia malayi metabotropic glutamate receptor type 2 0.0042 0.0082 0.018
Schistosoma mansoni lamin 0.0033 0.0049 0.0049
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.013 0.013
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.0207
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0148 0.0466 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.013 0.013
Brugia malayi Muscleblind-like protein 0.018 0.0581 0.1275
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0148 0.0325
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.0207
Brugia malayi hypothetical protein 0.1285 0.456 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0049 0.0107
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0148 0.0466 0.0466
Loa Loa (eye worm) hypothetical protein 0.0033 0.0049 0.0049
Loa Loa (eye worm) RNA binding protein 0.0076 0.0207 0.0207
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.0207
Brugia malayi Metabotropic glutamate receptor precursor. 0.0086 0.024 0.0527
Echinococcus multilocularis aminopeptidase N 0.0148 0.0466 0.0466
Echinococcus multilocularis muscleblind protein 0.018 0.0581 0.0581
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Echinococcus granulosus intermediate filament protein 0.0033 0.0049 0.0049
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0272 0.534
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0148 0.0466 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0072 0.019 0.019
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0148 0.0466 0.5
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0022 0.0011 0.0011
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0148 0.0466 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Brugia malayi Peptidase family M1 containing protein 0.0148 0.0466 0.1022
Loa Loa (eye worm) hypothetical protein 0.0032 0.0047 0.0047
Loa Loa (eye worm) peptidase family M1 containing protein 0.0148 0.0466 0.0466
Brugia malayi MH2 domain containing protein 0.0144 0.0451 0.0989
Mycobacterium ulcerans aminopeptidase N PepN 0.0148 0.0466 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0148 0.0466 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0154 0.0154
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0207 0.0207
Trypanosoma cruzi aminopeptidase, putative 0.0148 0.0466 0.5
Onchocerca volvulus 0.0148 0.0466 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.013 0.013
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0272 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0072 0.019 0.019
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0148 0.0325
Loa Loa (eye worm) hypothetical protein 0.0094 0.0272 0.0272
Brugia malayi Peptidase family M1 containing protein 0.0148 0.0466 0.1022
Trypanosoma brucei aminopeptidase, putative 0.0148 0.0466 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0097 0.0283 0.0283
Schistosoma mansoni intermediate filament proteins 0.0033 0.0049 0.0049
Brugia malayi Receptor family ligand binding region containing protein 0.0022 0.0011 0.0023
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0148 0.0466 0.0466
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0207 0.0207
Brugia malayi hypothetical protein 0.0148 0.0466 0.1022
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0148 0.0466 0.0466
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0272 0.0272
Schistosoma mansoni lamin 0.0033 0.0049 0.0049
Trypanosoma brucei Aminopeptidase M1, putative 0.0148 0.0466 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0272 0.534
Toxoplasma gondii aminopeptidase n, putative 0.0148 0.0466 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0148 0.0148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.013 0.013
Trypanosoma cruzi aminopeptidase, putative 0.0148 0.0466 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0581 0.0581
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0154 0.0154
Trypanosoma cruzi Aminopeptidase M1, putative 0.0148 0.0466 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0148 0.0466 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.013 0.013
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0078 0.0211 0.0463
Loa Loa (eye worm) glutamate receptor 0.0086 0.024 0.024
Echinococcus granulosus lamin 0.0033 0.0049 0.0049
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0148 0.0466 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0154 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.008 0.008
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0154 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0272 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0581 0.0581
Echinococcus multilocularis lamin 0.0033 0.0049 0.0049
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Echinococcus granulosus tar DNA binding protein 0.0076 0.0207 0.0207
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0148 0.0466 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0451 0.0451
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.013 0.0286
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.008 0.0175
Loa Loa (eye worm) hypothetical protein 0.018 0.0581 0.0581
Onchocerca volvulus 0.0148 0.0466 1
Brugia malayi Probable ClpP-like protease 0.0094 0.0272 0.0596
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0148 0.0466 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0148 0.0466 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0148 0.0148
Echinococcus granulosus lamin dm0 0.0033 0.0049 0.0049
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0148 0.0466 0.0466
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0207 0.0207
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0272 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0049 0.0049
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0272 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0148 0.0466 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0148 0.0466 0.5
Brugia malayi TATA binding protein associated factor 0.0148 0.0466 0.1022
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0148 0.0466 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0207 0.0207
Schistosoma mansoni hypothetical protein 0.0041 0.008 0.008
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0022 0.0011 0.0011
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0148 0.0466 1
Loa Loa (eye worm) TATA binding protein associated factor 0.0148 0.0466 0.0466
Brugia malayi intermediate filament protein 0.0033 0.0049 0.0107
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0148 0.0466 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Loa Loa (eye worm) aminopeptidase N 0.0148 0.0466 0.0466
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0451 0.0451
Schistosoma mansoni aminopeptidase A (M01 family) 0.0148 0.0466 0.0466
Echinococcus granulosus metabotropic glutamate receptor 5 0.0106 0.0312 0.0312
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.013 0.013
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0148 0.0466 0.0466
Echinococcus granulosus muscleblind protein 0.018 0.0581 0.0581
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0106 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0106 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0148 0.0466 0.0466
Loa Loa (eye worm) hypothetical protein 0.0022 0.0011 0.0011
Toxoplasma gondii aminopeptidase N, putative 0.0148 0.0466 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0148 0.0466 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0154 0.4744
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0049 0.0049
Echinococcus multilocularis musashi 0.0033 0.0049 0.0049
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0207 0.0454
Echinococcus granulosus aminopeptidase N 0.0148 0.0466 0.0466
Brugia malayi RNA binding protein 0.0076 0.0207 0.0454
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0148 0.0466 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0148 0.0466 0.0466
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.013 0.013
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0148 0.0466 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0148 0.0466 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0272 0.0272
Loa Loa (eye worm) glutamate receptor 0.0034 0.0053 0.0053
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0272 0.534
Onchocerca volvulus 0.0148 0.0466 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0272 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.013 0.013
Entamoeba histolytica aminopeptidase, putative 0.0148 0.0466 0.5
Brugia malayi TAR-binding protein 0.0076 0.0207 0.0454

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 49.6 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID504542, AID504544] ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 12.5893 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) = 12.5893 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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 17.7828 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 18.526 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) 20.5962 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) 20.5962 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) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Saccharomyces cerevisiae ChEMBL23
Homo sapiens 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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