Detailed information for compound 1367060

Basic information

Technical information
  • TDR Targets ID: 1367060
  • Name: ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl) benzimidazol-1-yl]acetyl]amino]benzoate
  • MW: 434.488 | Formula: C24H26N4O4
  • H donors: 1 H acceptors: 4 LogP: 2.58 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cccc(c1)NC(=O)Cn1c(CC(=O)N2CCCC2)nc2c1cccc2
  • InChi: 1S/C24H26N4O4/c1-2-32-24(31)17-8-7-9-18(14-17)25-22(29)16-28-20-11-4-3-10-19(20)26-21(28)15-23(30)27-12-5-6-13-27/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,25,29)
  • InChiKey: FPBDXXQILJRRFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 3-[[2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzimidazol-1-yl]acetyl]amino]benzoate
  • 3-[[1-oxo-2-[2-(2-oxo-2-1-pyrrolidinylethyl)-1-benzimidazolyl]ethyl]amino]benzoic acid ethyl ester
  • 3-[[2-[2-(2-keto-2-pyrrolidin-1-yl-ethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid ethyl ester
  • ethyl 3-[2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzimidazol-1-yl]ethanoylamino]benzoate
  • ASN 03801251
  • 3-{2-[2-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-benzoimidazol-1-yl]-acetylamino}-benzoic acid ethyl ester
  • MLS000073839
  • SMR000002629

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein 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
Trichomonas vaginalis conserved hypothetical protein 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis 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 granulosus lamin dm0 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
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold 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
Candida albicans ubiquitin-specific protease 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 ubiquitin specific protease 41 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
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 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 mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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 japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani 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
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
Brugia malayi intermediate filament 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
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum 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
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 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 granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) intermediate filament tail domain-containing 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 japonicum Ubiquitin carboxyl-terminal hydrolase 8, 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
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
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
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
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
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
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Brugia malayi Kringle domain containing protein 0.0058 0.0934 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0585 0.0449
Echinococcus multilocularis prostaglandin H2 D isomerase 0.0025 0.0142 0.1311
Brugia malayi hypothetical protein 0.0028 0.0204 0.218
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0585 0.5389
Mycobacterium ulcerans beta-lactamase 0.0043 0.0585 0.5
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0614 1
Plasmodium falciparum plasmepsin II 0.0064 0.1086 1
Echinococcus granulosus lamin dm0 0.0033 0.0318 0.0344
Echinococcus granulosus intermediate filament protein 0.0033 0.0318 0.0344
Toxoplasma gondii aspartyl protease ASP1 0.0064 0.1086 0.1352
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0614 0.0827
Echinococcus granulosus glutathione S transferase 0.0025 0.0142 0.0154
Brugia malayi beta-lactamase family protein 0.0043 0.0585 0.6264
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0204 0.0062
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0318 0.3404
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0585 0.5389
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0614 0.0479
Echinococcus multilocularis glutathione S transferase 0.0025 0.0142 0.1311
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0585 0.5
Echinococcus granulosus prostaglandin H2 D isomerase 0.0025 0.0142 0.0154
Loa Loa (eye worm) hypothetical protein 0.0028 0.0204 0.1875
Toxoplasma gondii ABC1 family protein 0.0043 0.0585 0.0585
Brugia malayi glutathione transferase 0.0025 0.0142 0.1524
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0204 0.0062
Schistosoma mansoni lamin 0.0033 0.0318 0.0178
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0614 0.5654
Onchocerca volvulus 0.0028 0.0204 0.218
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0614 0.5654
Echinococcus multilocularis glutathione s transferase mu 0.0025 0.0142 0.1311
Plasmodium falciparum plasmepsin IV 0.0064 0.1086 1
Brugia malayi hypothetical protein 0.0028 0.0204 0.218
Onchocerca volvulus 0.0058 0.0934 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.5389
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0585 0.5389
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0585 0.4693
Onchocerca volvulus 0.0033 0.0318 0.3404
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0064 0.1086 0.1352
Echinococcus multilocularis musashi 0.0033 0.0318 0.2928
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0585 0.5389
Plasmodium falciparum plasmepsin VIII, putative 0.0028 0.0204 0.0649
Plasmodium falciparum cysteine repeat modular protein 1 0.0058 0.0934 0.8392
Echinococcus multilocularis lamin dm0 0.0033 0.0318 0.2928
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0064 0.1086 1
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0934 1
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0028 0.0204 0.1875
Echinococcus granulosus lamin 0.0033 0.0318 0.0344
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.5389
Onchocerca volvulus 0.0043 0.0585 0.6264
Brugia malayi aspartic protease BmAsp-2, identical 0.0028 0.0204 0.218
Echinococcus granulosus glutathione s transferase mu 0.0025 0.0142 0.0154
Plasmodium vivax aspartyl proteinase, putative 0.0028 0.0204 0.0649
Echinococcus multilocularis glutathione S-transferase 0.0025 0.0142 0.1311
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0614 0.5654
Plasmodium falciparum plasmepsin VII 0.0028 0.0204 0.0649
Brugia malayi beta-lactamase family protein 0.0043 0.0585 0.6264
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.5389
Leishmania major hypothetical protein, conserved 0.0058 0.0934 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0585 0.5389
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0204 0.0062
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0204 0.0062
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0064 0.1086 1
Brugia malayi aspartic protease BmAsp-1, identical 0.0028 0.0204 0.218
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0204 0.0062
Plasmodium vivax aspartyl protease, putative 0.0028 0.0204 0.0649
Plasmodium vivax plasmepsin IV, putative 0.0064 0.1086 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0318 0.2928
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0614 0.5
Plasmodium falciparum plasmepsin IX 0.0028 0.0204 0.0649
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0585 0.0633
Plasmodium vivax plasmepsin V, putative 0.0028 0.0204 0.0649
Plasmodium vivax aspartyl protease, putative 0.0028 0.0204 0.0649
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0614 0.5654
Loa Loa (eye worm) hypothetical protein 0.0058 0.0934 0.8602
Echinococcus multilocularis lamin 0.0033 0.0318 0.2928
Loa Loa (eye worm) hypothetical protein 0.0025 0.0142 0.1311
Echinococcus multilocularis tissue type plasminogen activator 0.0058 0.0934 0.8602
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0064 0.1086 1
Plasmodium vivax aspartyl proteinase, putative 0.0064 0.1086 1
Onchocerca volvulus 0.0033 0.0318 0.3404
Plasmodium falciparum plasmepsin VI 0.0064 0.1086 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0585 0.0449
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0614 0.6573
Loa Loa (eye worm) hypothetical protein 0.0028 0.0204 0.1875
Mycobacterium ulcerans hypothetical protein 0.0043 0.0585 0.5
Brugia malayi Protein kinase domain containing protein 0.0058 0.0934 1
Brugia malayi beta-lactamase 0.0043 0.0585 0.6264
Toxoplasma gondii PAN domain-containing protein 0.0294 0.6731 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0058 0.0934 0.8392
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0318 0.2928
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0614 0.5654
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0614 0.0827
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0614 0.0827
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0614 0.0665
Schistosoma mansoni cathepsin D (A01 family) 0.0156 0.3338 0.3242
Brugia malayi intermediate filament protein 0.0033 0.0318 0.3404
Schistosoma mansoni lamin 0.0033 0.0318 0.0178
Loa Loa (eye worm) beta-lactamase 0.0043 0.0585 0.5389
Brugia malayi Pepsin A precursor 0.0028 0.0204 0.218
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0204 0.0062
Schistosoma mansoni intermediate filament proteins 0.0033 0.0318 0.0178
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.1086 0.0957
Plasmodium falciparum plasmepsin I 0.0064 0.1086 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.1086 1
Toxoplasma gondii PAN domain-containing protein 0.0294 0.6731 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.6324 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0585 0.5
Onchocerca volvulus 0.0028 0.0204 0.218
Loa Loa (eye worm) hypothetical protein 0.0032 0.0304 0.2794
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0204 0.0062
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0614 0.0665
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0585 0.5
Mycobacterium leprae Probable lipase LipE 0.0043 0.0585 0.5
Plasmodium falciparum plasmepsin X 0.0028 0.0204 0.0649
Brugia malayi Eukaryotic aspartyl protease family protein 0.0028 0.0204 0.218
Loa Loa (eye worm) hypothetical protein 0.0045 0.0614 0.5654
Loa Loa (eye worm) hypothetical protein 0.0033 0.0318 0.2928
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0585 0.6264
Plasmodium falciparum plasmepsin V 0.0028 0.0204 0.0649
Schistosoma mansoni hypothetical protein 0.0058 0.0934 0.0803
Plasmodium falciparum plasmepsin III 0.0028 0.0204 0.0649
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0585 0.5
Onchocerca volvulus 0.0043 0.0585 0.6264
Echinococcus granulosus glutathione S transferase Mu 1 0.0397 0.9242 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0614 0.0665
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0585 0.5389
Echinococcus multilocularis glutathione S transferase 0.0025 0.0142 0.1311
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0614 0.0479
Toxoplasma gondii kringle domain-containing protein 0.0058 0.0934 0.112
Loa Loa (eye worm) TK/ROR protein kinase 0.0058 0.0934 0.8602
Trichomonas vaginalis esterase, putative 0.0043 0.0585 0.5389
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0585 0.5389
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0614 0.5
Echinococcus granulosus tissue type plasminogen activator 0.0058 0.0934 0.1011
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0614 0.5654
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0064 0.1086 0.1175
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0204 0.0062
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.5389
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.5389
Loa Loa (eye worm) hypothetical protein 0.0043 0.0585 0.5389
Onchocerca volvulus 0.0043 0.0585 0.6264
Loa Loa (eye worm) aspartyl protease 6 0.0028 0.0204 0.1875
Plasmodium vivax aspartyl protease, putative 0.0028 0.0204 0.0649
Schistosoma mansoni cathepsin D (A01 family) 0.0156 0.3338 0.3242
Echinococcus multilocularis glutathione S transferase 0.0025 0.0142 0.1311

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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

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.