Detailed information for compound 1396942

Basic information

Technical information
  • TDR Targets ID: 1396942
  • Name: 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[(9 -methyltetrazolo[1,5-a]quinolin-4-yl)methyl]u rea
  • MW: 392.429 | Formula: C21H21FN6O
  • H donors: 0 H acceptors: 4 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CN(C(=O)N(C)C)Cc1cc2cccc(c2n2c1nnn2)C
  • InChi: 1S/C21H21FN6O/c1-14-5-4-6-16-11-17(20-23-24-25-28(20)19(14)16)13-27(21(29)26(2)3)12-15-7-9-18(22)10-8-15/h4-11H,12-13H2,1-3H3
  • InChiKey: FAWVCGZLTKPQNN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[(9-methyl-4-tetrazolo[1,5-a]quinolinyl)methyl]urea
  • 1-(4-fluorobenzyl)-3,3-dimethyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
  • 1-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[(9-methyl-[1,2,3,4]tetrazolo[1,5-a]quinolin-4-yl)methyl]urea
  • MLS000033432
  • SMR000006116
  • ZINC01376781
  • 1-(4-Fluoro-benzyl)-3,3-dimethyl-1-(9-methyl-1,2,3,9b-tetraaza-cyclopenta[a]naphthalen-4-ylmethyl)-urea
  • ASN 06116931

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) intermediate filament 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 mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein 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
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0041 0.0569 0.1279
Schistosoma mansoni hypothetical protein 0.0029 0.0094 0.0281
Schistosoma mansoni laminin gamma-3 chain 0.0027 0.0022 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0714 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Echinococcus multilocularis neurogenic locus protein delta 0.0027 0.0022 0.0049
Schistosoma mansoni septate junction protein 0.0027 0.0022 0.0066
Onchocerca volvulus Peroxidase homolog 0.0084 0.2268 0.5071
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Brugia malayi Blistered cuticle protein 3 0.0084 0.2268 0.2254
Loa Loa (eye worm) hypothetical protein 0.0082 0.2188 0.2188
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0111 0.3332 1
Schistosoma mansoni notch 0.0027 0.0022 0.0066
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0041 0.0569 0.1279
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0041 0.0569 0.7967
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0111 0.3332 0.332
Echinococcus multilocularis fibropellin Ia 0.0027 0.0022 0.0049
Schistosoma mansoni hypothetical protein 0.0027 0.0022 0.0066
Echinococcus multilocularis peroxidasin 0.0084 0.2268 0.5095
Echinococcus multilocularis protein jagged 2 0.0027 0.0022 0.0049
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0714 0.2144
Brugia malayi GCC2 and GCC3 family protein 0.0027 0.0022 0.0004
Loa Loa (eye worm) hypothetical protein 0.0045 0.0714 0.0714
Loa Loa (eye worm) aminopeptidase N 0.0041 0.0569 0.0569
Loa Loa (eye worm) hypothetical protein 0.0084 0.2264 0.2264
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0056 0.1161 0.3485
Schistosoma mansoni hypothetical protein 0.0029 0.0094 0.0281
Echinococcus granulosus lamin dm0 0.0033 0.0237 0.0485
Schistosoma mansoni hypothetical protein 0.0029 0.0094 0.0281
Loa Loa (eye worm) hypothetical protein 0.0082 0.2188 0.2188
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0029 0.0094 0.0281
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0041 0.0569 0.1279
Schistosoma mansoni slit 0.0027 0.0022 0.0066
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0056 0.1161 0.3485
Schistosoma mansoni cell polarity protein 0.0027 0.0022 0.0066
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0714 0.1564
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Brugia malayi EGF-like domain containing protein 0.0027 0.0022 0.0004
Brugia malayi EGF-like domain containing protein 0.0027 0.0022 0.0004
Schistosoma mansoni hypothetical protein 0.0029 0.0094 0.0281
Echinococcus multilocularis endothelin converting enzyme 1 0.0111 0.3332 0.7487
Onchocerca volvulus 0.0084 0.2268 0.5071
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0041 0.0569 0.1236
Schistosoma mansoni hypothetical protein 0.0027 0.0022 0.0066
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0041 0.0569 0.1279
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Schistosoma mansoni notch 0.0027 0.0022 0.0066
Brugia malayi Animal haem peroxidase family protein 0.0084 0.2268 0.2254
Schistosoma mansoni neprilysin-2 (M13 family) 0.0056 0.1161 0.3485
Brugia malayi Calcium binding EGF domain containing protein 0.0027 0.0022 0.0004
Mycobacterium leprae probable zinc metalloprotease 0.0111 0.3332 0.5
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0714 0.2144
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0714 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0714 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Brugia malayi Muscle positioning protein 4 0.0027 0.0022 0.0004
Brugia malayi Animal haem peroxidase family protein 0.0084 0.2268 0.2254
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0027 0.0017 0.0053
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Brugia malayi hypothetical protein 0.0041 0.0569 0.0553
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0237 0.022
Brugia malayi Peptidase family M1 containing protein 0.0041 0.0569 0.0553
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0111 0.3332 0.5
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0714 0.1605
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0056 0.1161 0.3485
Brugia malayi Animal haem peroxidase family protein 0.0084 0.2268 0.2254
Echinococcus multilocularis protein jagged 1 0.0027 0.0022 0.0049
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0027 0.0017 0.0053
Schistosoma mansoni notch 0.0027 0.0022 0.0066
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Schistosoma mansoni endothelin-converting enzyme-related 0.0027 0.0017 0.0053
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0041 0.0569 0.1236
Loa Loa (eye worm) Notch2 0.0027 0.0022 0.0022
Echinococcus multilocularis fat cadherin tumor suppressor 0.0027 0.0022 0.0049
Schistosoma mansoni peroxidasin 0.0084 0.2268 0.6806
Onchocerca volvulus 0.0041 0.0569 0.1236
Schistosoma mansoni intermediate filament proteins 0.0033 0.0237 0.0711
Echinococcus multilocularis notch 0.0027 0.0022 0.0049
Loa Loa (eye worm) hypothetical protein 0.0055 0.1121 0.1121
Brugia malayi EGF-like domain containing protein 0.0027 0.0022 0.0004
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Echinococcus multilocularis slit 2 protein 0.0027 0.0022 0.0049
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0714 1
Onchocerca volvulus Peroxidasin homolog 0.0084 0.2268 0.5071
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0027 0.0017 0.0053
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0041 0.0569 0.1708
Brugia malayi Cadherin domain containing protein 0.0027 0.0022 0.0004
Echinococcus multilocularis musashi 0.0033 0.0237 0.0532
Trypanosoma cruzi aminopeptidase, putative 0.0041 0.0569 0.7967
Schistosoma mansoni lamin 0.0033 0.0237 0.0711
Toxoplasma gondii peptidase family M13 protein 0.0111 0.3332 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Echinococcus granulosus lamin 0.0033 0.0237 0.0485
Loa Loa (eye worm) hypothetical protein 0.0111 0.3332 0.3332
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0714 0.1605
Echinococcus multilocularis neurogenic locus protein delta 0.0027 0.0022 0.0049
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0714 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0041 0.0569 0.1708
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0027 0.0022 0.0066
Brugia malayi intermediate filament protein 0.0033 0.0237 0.022
Echinococcus multilocularis lamin dm0 0.0033 0.0237 0.0532
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0027 0.0022 0.0004
Loa Loa (eye worm) blistered cuticle protein 3 0.0084 0.2268 0.2268
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Brugia malayi Delta serrate ligand family protein 0.0027 0.0022 0.0004
Brugia malayi Calcium binding EGF domain containing protein 0.0027 0.0022 0.0004
Onchocerca volvulus Peroxidase homolog 0.0084 0.2268 0.5071
Schistosoma mansoni notch 0.0027 0.0022 0.0066
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0027 0.0022 0.0066
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0714 0.1605
Echinococcus granulosus endothelin converting enzyme 1 0.0111 0.3332 0.7474
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0027 0.0022 0.0066
Schistosoma mansoni hypothetical protein 0.0029 0.0094 0.0281
Brugia malayi EGF-like domain containing protein 0.0027 0.0022 0.0004
Loa Loa (eye worm) hypothetical protein 0.0111 0.3332 0.3332
Echinococcus granulosus peroxidasin 0.0084 0.2268 0.5071
Brugia malayi Calcium binding EGF domain containing protein 0.0027 0.0022 0.0004
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0714 0.1564
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0237 0.0237
Onchocerca volvulus Chorion peroxidase homolog 0.0084 0.2268 0.5071
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0714 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0714 1
Echinococcus multilocularis neurogenic locus notch protein 0.0027 0.0022 0.0049
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Brugia malayi Peroxidasin 0.0084 0.2268 0.2254
Brugia malayi notch-like transmembrane receptor 0.0027 0.0022 0.0004
Loa Loa (eye worm) animal heme peroxidase 0.0084 0.2268 0.2268
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0714 0.0698
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Loa Loa (eye worm) hypothetical protein 0.0084 0.2264 0.2264
Onchocerca volvulus 0.0139 0.445 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0714 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Loa Loa (eye worm) hypothetical protein 0.0125 0.3881 0.3881
Loa Loa (eye worm) hypothetical protein 0.0084 0.2264 0.2264
Onchocerca volvulus 0.0084 0.2268 0.5071
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0041 0.0569 0.1236
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0041 0.0569 0.1279
Brugia malayi Peptidase family M13 containing protein 0.0111 0.3332 0.332
Onchocerca volvulus 0.0033 0.0237 0.0485
Loa Loa (eye worm) hypothetical protein 0.0032 0.0213 0.0213
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0027 0.0017 0.0053
Loa Loa (eye worm) hypothetical protein 0.0111 0.3332 0.3332
Brugia malayi EGF-like domain containing protein 0.0027 0.0022 0.0004
Echinococcus granulosus aminopeptidase N 0.0139 0.445 1
Schistosoma mansoni notch 0.0027 0.0022 0.0066
Brugia malayi Cadherin domain containing protein 0.0027 0.0022 0.0004
Brugia malayi Animal haem peroxidase family protein 0.0084 0.2268 0.2254
Brugia malayi Peptidase family M1 containing protein 0.0139 0.445 0.444
Mycobacterium ulcerans zinc metalloprotease 0.0111 0.3332 1
Echinococcus multilocularis neural cadherin 0.0027 0.0022 0.0049
Onchocerca volvulus 0.0033 0.0237 0.0485
Loa Loa (eye worm) zinc metallopeptidase 4 0.0027 0.0017 0.0017
Echinococcus multilocularis lamin 0.0033 0.0237 0.0532
Trypanosoma cruzi Aminopeptidase M1, putative 0.0041 0.0569 0.7967
Loa Loa (eye worm) hypothetical protein 0.0084 0.2264 0.2264
Brugia malayi EGF-like domain containing protein 0.0027 0.0022 0.0004
Loa Loa (eye worm) hypothetical protein 0.0033 0.0237 0.0237
Onchocerca volvulus 0.0055 0.1121 0.2482
Loa Loa (eye worm) hypothetical protein 0.0082 0.2188 0.2188
Echinococcus granulosus intermediate filament protein 0.0033 0.0237 0.0485
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Loa Loa (eye worm) notch protein 0.0027 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0027 0.0022 0.0066
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0056 0.1161 0.3485
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0714 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0041 0.0569 0.1236
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0714 0.1564
Brugia malayi EGF-like domain containing protein 0.0027 0.0022 0.0004
Loa Loa (eye worm) hypothetical protein 0.0084 0.2264 0.2264
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0041 0.0569 0.1279
Echinococcus multilocularis aminopeptidase N 0.0139 0.445 1
Echinococcus multilocularis neurogenic locus notch protein 0.0027 0.0022 0.0049
Brugia malayi Animal haem peroxidase family protein 0.0084 0.2268 0.2254
Loa Loa (eye worm) hypothetical protein 0.0084 0.2264 0.2264
Schistosoma mansoni notch 0.0027 0.0022 0.0066
Schistosoma mansoni peroxidasin 0.0084 0.2268 0.6806
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Loa Loa (eye worm) animal heme peroxidase 0.0084 0.2268 0.2268
Loa Loa (eye worm) peptidase family M13 containing protein 0.0082 0.2188 0.2188
Loa Loa (eye worm) animal heme peroxidase 0.0084 0.2268 0.2268
Onchocerca volvulus Dual oxidase homolog 0.0084 0.2268 0.5071
Loa Loa (eye worm) hypothetical protein 0.0098 0.2831 0.2831
Schistosoma mansoni hypothetical protein 0.0027 0.0022 0.0066
Echinococcus multilocularis protein jagged 1 0.0027 0.0022 0.0049
Echinococcus multilocularis neurogenic locus notch protein 4 0.0027 0.0022 0.0049
Loa Loa (eye worm) animal heme peroxidase 0.0084 0.2268 0.2268
Loa Loa (eye worm) peptidase family M13 containing protein 0.0082 0.2188 0.2188
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Loa Loa (eye worm) hypothetical protein 0.0084 0.2268 0.2268
Loa Loa (eye worm) hypothetical protein 0.0082 0.2188 0.2188
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0237 0.0237
Onchocerca volvulus Peroxidasin homolog 0.0084 0.2268 0.5071
Loa Loa (eye worm) hypothetical protein 0.0027 0.0022 0.0022
Onchocerca volvulus 0.0084 0.2268 0.5071
Brugia malayi hypothetical protein 0.0084 0.2268 0.2254
Loa Loa (eye worm) peptidase family M1 containing protein 0.0113 0.34 0.34
Schistosoma mansoni lamin 0.0033 0.0237 0.0711
Schistosoma mansoni neprilysin 0.0029 0.0094 0.0281
Schistosoma mansoni hypothetical protein 0.0029 0.0094 0.0281
Schistosoma mansoni hypothetical protein 0.0027 0.0022 0.0066
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0027 0.0017 0.0053

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1585 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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