Detailed information for compound 1359091

Basic information

Technical information
  • TDR Targets ID: 1359091
  • Name: 3-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxopyrr olidin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benz amide
  • MW: 476.496 | Formula: C27H25FN2O5
  • H donors: 0 H acceptors: 3 LogP: 3.99 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCN(C1CC(=O)N(C1=O)c1ccc(cc1)OC)C(=O)c1cccc(c1)F
  • InChi: 1S/C27H25FN2O5/c1-34-22-10-6-18(7-11-22)14-15-29(26(32)19-4-3-5-20(28)16-19)24-17-25(31)30(27(24)33)21-8-12-23(35-2)13-9-21/h3-13,16,24H,14-15,17H2,1-2H3
  • InChiKey: XFARBEKZRYUVSL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
  • 3-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
  • N-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
  • MLS000577807
  • SMR000187192
  • Oprea1_413335
  • A2144/0090026

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus tar DNA 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
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
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tar DNA-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 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0068 0.2059 0.2154
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0093 0.299 0.278
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0732 0.0588
Echinococcus granulosus GPCR family 2 0.0031 0.0732 0.1083
Trichomonas vaginalis esterase, putative 0.0043 0.1172 0.1057
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.3034 1
Toxoplasma gondii ABC1 family protein 0.0043 0.1172 0.2385
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.3034 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1172 0.1057
Leishmania major hypothetical protein, conserved 0.0043 0.1172 0.3475
Schistosoma mansoni alpha-glucosidase 0.0169 0.5758 0.6022
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0732 0.1083
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0286 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0292 0.0119
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1172 0.0906
Leishmania major hypothetical protein, conserved 0.0025 0.0507 0.1147
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1172 0.07
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1178 0.1064
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9709 0.97
Giardia lamblia Kinase, PLK 0.0095 0.3034 0.9138
Loa Loa (eye worm) hypothetical protein 0.0099 0.3204 0.3223
Echinococcus multilocularis GPCR, family 2 0.0031 0.0732 0.1083
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0292 0.0119
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0093 0.299 0.9851
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1178 0.3498
Mycobacterium ulcerans lipase LipD 0.0043 0.1172 0.0906
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3034 0.3042
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0732 0.1083
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6756 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Schistosoma mansoni alpha glucosidase 0.0044 0.1178 0.1232
Trypanosoma brucei glucosidase, putative 0.0044 0.1178 0.3732
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1172 0.0906
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0031 0.0715 0.1874
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1178 0.3498
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.6756 0.7009
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3034 0.3042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.16 0.2368
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3034 0.3042
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3034 0.3042
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0093 0.299 0.4426
Loa Loa (eye worm) beta-lactamase 0.0043 0.1172 0.1057
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.3034 1
Onchocerca volvulus 0.0043 0.1172 0.1677
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4841 0.4967
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1172 0.0906
Treponema pallidum hypothetical protein 0.0286 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4841 0.4967
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0292 0.0738
Onchocerca volvulus 0.0043 0.1172 0.1677
Brugia malayi glutaminase DH11.1 0.0274 0.9562 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.6096 0.6305
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0292 0.0738
Mycobacterium tuberculosis Conserved protein 0.0043 0.1172 0.0906
Schistosoma mansoni DNA polymerase eta 0.0019 0.0292 0.0305
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.6756 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0292 0.0119
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1172 0.1057
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2375 0.2484
Loa Loa (eye worm) glutaminase 0.0274 0.9562 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1172 0.0906
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2375 0.2484
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2375 0.2339
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.1178 0.2409
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0292 0.0738
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0061 0.181 0.4676
Loa Loa (eye worm) hypothetical protein 0.0043 0.1172 0.1057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.16 0.2368
Brugia malayi MH2 domain containing protein 0.0144 0.4841 0.4967
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.16 0.1673
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0179 0.6096 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1172 0.0906
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1178 0.1064
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0093 0.299 0.2995
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0732 0.0588
Loa Loa (eye worm) glutaminase 2 0.0274 0.9562 1
Schistosoma mansoni hypothetical protein 0.0031 0.0732 0.0765
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.003 0.0682 0.176
Brugia malayi N-terminal motif family protein 0.0179 0.6096 0.6305
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1172 0.1057
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0102 0.3293 0.2935
Schistosoma mansoni hypothetical protein 0.0031 0.0732 0.0765
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1172 0.1057
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.2059 0.2003
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0292 0.0432
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.1178 0.1744
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.1294 0.1187
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2375 0.2339
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0292 0.0119
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.299 0.9845
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Trypanosoma brucei unspecified product 0.0019 0.0292 0.0738
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0292 0.0305
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1172 0.1057
Mycobacterium ulcerans beta-lactamase 0.0043 0.1172 0.0906
Brugia malayi hypothetical protein 0.0025 0.0507 0.0349
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0093 0.299 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.3034 0.3042
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1172 0.0906
Echinococcus granulosus dna polymerase eta 0.0019 0.0292 0.0432
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.3034 0.3173
Loa Loa (eye worm) hypothetical protein 0.0043 0.1172 0.1057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.16 0.1514
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1178 0.3498
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0093 0.299 0.4426
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0286 1 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0102 0.3293 0.3318
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1172 0.1057
Loa Loa (eye worm) hypothetical protein 0.0019 0.0292 0.0119
Echinococcus granulosus dna polymerase kappa 0.0019 0.0292 0.0432
Brugia malayi beta-lactamase family protein 0.0043 0.1172 0.1057
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.3204 0.3223
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0286 1 1
Onchocerca volvulus 0.0114 0.3734 0.6008
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2375 0.2484
Schistosoma mansoni hypothetical protein 0.0031 0.0732 0.0765
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0292 0.0391
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3034 0.3042
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0732 0.1083
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0507 0.1466
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1178 0.1064
Trypanosoma brucei polo-like protein kinase 0.0095 0.3034 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.6756 0.7009
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2375 0.2339
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.1178 0.3498
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1178 0.1064
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.3034 0.3042
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0292 0.0305
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2375 0.3515
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6756 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.2375 0.3515
Loa Loa (eye worm) RNA binding protein 0.0076 0.2375 0.2339
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1178 0.1064
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0061 0.181 0.1564
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.3034 0.4825
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0292 0.0391
Loa Loa (eye worm) hypothetical protein 0.0043 0.1172 0.1057
Onchocerca volvulus 0.0043 0.1172 0.1677
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.299 0.9845
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.3204 0.3223
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1178 0.1064
Loa Loa (eye worm) hypothetical protein 0.0043 0.1172 0.1057
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1172 0.0906
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2375 0.2484
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3034 0.3042
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1172 0.1057
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0292 0.0391
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0032 0.0768 0.049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0732 0.0588
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0102 0.3293 0.3318
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.3034 0.3042
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2375 0.2484
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1172 0.3475
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0292 0.0432
Loa Loa (eye worm) hypothetical protein 0.0043 0.1172 0.1057
Brugia malayi beta-lactamase family protein 0.0043 0.1172 0.1057
Trichomonas vaginalis glutaminase, putative 0.0274 0.9562 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1172 0.1734
Brugia malayi hypothetical protein 0.0016 0.0181 0.0001
Schistosoma mansoni kinase 0.0048 0.1339 0.1401
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0093 0.299 0.3127
Leishmania major DNA polymerase eta, putative 0.0019 0.0292 0.0391
Mycobacterium tuberculosis Conserved protein 0.0043 0.1172 0.0906
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.3034 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0292 0.0119
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.16 0.1514
Schistosoma mansoni alpha-glucosidase 0.0169 0.5758 0.6022
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1172 0.0906
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1178 0.3498
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.1178 0.1064
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1172 0.1225
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0102 0.3293 0.2935
Brugia malayi glucose-6-phosphate dehydrogenase 0.0093 0.299 0.2995
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1172 0.371
Schistosoma mansoni hypothetical protein 0.0031 0.0732 0.0765
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0102 0.3293 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.16 0.2368
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1172 0.0906
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1172 0.1225
Loa Loa (eye worm) hypothetical protein 0.0068 0.2059 0.2003
Mycobacterium ulcerans hypothetical protein 0.0043 0.1172 0.0906
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0732 0.1083
Loa Loa (eye worm) hypothetical protein 0.0025 0.0507 0.0349
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1172 0.3475
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0292 0.0391
Echinococcus multilocularis dna polymerase eta 0.0019 0.0292 0.0432
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.018 0.0361
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0507 0.1147
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0507 0.1147
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0292 0.0738
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0292 0.0391
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0102 0.3293 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.16 0.2368
Mycobacterium ulcerans glutaminase 0.0274 0.9562 0.9549
Brugia malayi RNA binding protein 0.0076 0.2375 0.2339
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0292 0.0738
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.1178 0.1064
Brugia malayi beta-lactamase 0.0043 0.1172 0.1057
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.1178 0.1744
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.16 0.1673
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.1294 0.1187
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.1178 0.1064
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.3204 0.3223
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0292 0.0391
Loa Loa (eye worm) hypothetical protein 0.0043 0.1172 0.1057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.16 0.1673
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.3034 0.4491
Leishmania major DNA polymerase kappa, putative 0.0019 0.0292 0.0391
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0102 0.3293 0.3318
Brugia malayi TAR-binding protein 0.0076 0.2375 0.2339
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0286 1 1
Schistosoma mansoni glutaminase 0.0274 0.9562 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.1178 0.1064
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1178 0.1064
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0292 0.0391
Loa Loa (eye worm) hypothetical protein 0.0031 0.0732 0.0588
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1172 0.0906
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.3034 0.4491
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0292 0.0432
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1172 0.1734

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 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) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 10 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) 11.2202 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) 13.1154 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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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