Detailed information for compound 1348941

Basic information

Technical information
  • TDR Targets ID: 1348941
  • Name: [2-(cyclopentylamino)-1-(4-fluorophenyl)-2-ox oethyl] 1,2-oxazole-5-carboxylate
  • MW: 332.326 | Formula: C17H17FN2O4
  • H donors: 1 H acceptors: 3 LogP: 2.96 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccc(cc1)F)OC(=O)c1ccno1)NC1CCCC1
  • InChi: 1S/C17H17FN2O4/c18-12-7-5-11(6-8-12)15(16(21)20-13-3-1-2-4-13)23-17(22)14-9-10-19-24-14/h5-10,13,15H,1-4H2,(H,20,21)
  • InChiKey: VWIJIDVHLUNFDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] isoxazole-5-carboxylate
  • 5-isoxazolecarboxylic acid [2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester
  • isoxazole-5-carboxylic acid [2-(cyclopentylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester
  • [2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 1,2-oxazole-5-carboxylate
  • SMR000007156
  • ASN 06744289
  • MLS000027509
  • Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0032 0.0332 0.0538
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0526 0.0526
Mycobacterium tuberculosis Conserved protein 0.0043 0.0597 0.0967
Trichomonas vaginalis esterase, putative 0.0043 0.0597 0.0924
Toxoplasma gondii ABC1 family protein 0.0043 0.0597 0.1474
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0019 0.0009 0.0009
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.004 0.052 0.0806
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.008 0.1462 0.237
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0009 0.0009
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.0108 0.0167
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0023 0.0108 0.0175
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.2389 0.2389
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0129 0.2636 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0597 0.0597
Entamoeba histolytica protein kinase, putative 0.0439 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0019 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0019 0.0009 0.0009
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0439 1 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.008 0.1462 0.2265
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.004 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.004 0.052 0.052
Schistosoma mansoni hypothetical protein 0.0049 0.0732 0.1134
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0189 0.4048 0.6565
Echinococcus multilocularis carbonic anhydrase II 0.0129 0.2636 0.2636
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0597 0.0924
Echinococcus multilocularis protein patched 0.0051 0.0776 0.0776
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0019 0.0009 0.0009
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0019 0.0009 0.0009
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0129 0.2636 0.2636
Echinococcus granulosus carbonic anhydrase 0.0029 0.0263 0.0263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0019 0.0009 0.0009
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0023 0.0108 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0019 0.0009 0.0009
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0019 0.0009 0.0009
Echinococcus granulosus expressed conserved protein 0.0112 0.2218 0.2218
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0023 0.0108 0.0175
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0009 0.0009
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0112 0.223 0.3456
Brugia malayi beta-lactamase family protein 0.0043 0.0597 0.0597
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0597 0.0967
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0597 0.0924
Loa Loa (eye worm) steroid hormone receptor 0.0019 0.0009 0.0009
Echinococcus multilocularis expressed conserved protein 0.0112 0.2218 0.2218
Brugia malayi nuclear receptor NHR-88 0.0019 0.0009 0.0009
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.6167 1
Treponema pallidum hypothetical protein 0.0028 0.0218 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0023 0.0108 0.0167
Trichomonas vaginalis aldehyde oxidase, putative 0.0169 0.359 0.5563
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0009
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.4048 0.6273
Loa Loa (eye worm) hypothetical protein 0.0043 0.0597 0.0597
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0019 0.0009 0.0014
Brugia malayi nuclear hormone receptor 0.0019 0.0009 0.0009
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0023 0.0108 1
Echinococcus granulosus carbonic anhydrase 0.0029 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0029 0.0263 0.0263
Echinococcus granulosus carbonic anhydrase II 0.0129 0.2636 0.2636
Loa Loa (eye worm) hypothetical protein 0.004 0.052 0.052
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0009 0.0009
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0029 0.0263 0.0408
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0009 0.0014
Onchocerca volvulus 0.0043 0.0597 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0032 0.0332 0.0514
Schistosoma mansoni hypothetical protein 0.0049 0.0732 0.1134
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0597 1
Brugia malayi steroid hormone receptor 0.0019 0.0009 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0019 0.0009 0.0009
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0597 0.0967
Echinococcus granulosus ecdysone induced protein 78C 0.0019 0.0009 0.0009
Mycobacterium ulcerans acetylornithine aminotransferase 0.0023 0.0108 0.0167
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.513 0.513
Schistosoma mansoni hypothetical protein 0.0029 0.0263 0.0408
Echinococcus multilocularis carbonic anhydrase 0.0029 0.0263 0.0263
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0019 0.0009 0.0009
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0009 0.0009
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0597 0.0967
Leishmania major carbonic anhydrase-like protein 0.0129 0.2636 0.651
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0257 0.5676 0.9204
Mycobacterium tuberculosis Probable aminotransferase 0.0023 0.0108 0.0175
Schistosoma mansoni RAR-like nuclear receptor 0.0019 0.0009 0.0014
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.1227 0.1227
Schistosoma mansoni coup transcription factor 0.0019 0.0009 0.0014
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0009 0.0014
Schistosoma mansoni patched 1 0.0051 0.0776 0.1202
Plasmodium falciparum carbonic anhydrase 0.0029 0.0263 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0009
Mycobacterium leprae PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD 0.004 0.052 0.8431
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0597 0.0924
Echinococcus multilocularis carbonic anhydrase 0.0029 0.0263 0.0263
Mycobacterium ulcerans hypothetical protein 0.0043 0.0597 0.0924
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0057 0.0922 0.1429
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0029 0.0263 0.0263
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0597 0.0924
Brugia malayi beta-lactamase family protein 0.0043 0.0597 0.0597
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0169 0.359 0.5563
Schistosoma mansoni carbonic anhydrase-related 0.0029 0.0263 0.0408
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.2389 0.2389
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0029 0.0263 0.0263
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0009 0.0009
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0019 0.0009 0.0009
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1227 0.4655
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0019 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0019 0.0009 0.0009
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0019 0.0009 0.0014
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1227 0.4655
Loa Loa (eye worm) IRE protein kinase 0.0439 1 1
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.004 0.052 0.052
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0029 0.0263 0.0263
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.004 0.052 0.052
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 0.004 0.052 0.0843
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0129 0.2636 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.0108 0.0167
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0023 0.0108 0.0167
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0169 0.359 0.5563
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0597 0.0597
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0009 0.0009
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0057 0.0922 0.1429
Schistosoma mansoni aldehyde dehydrogenase 0.0189 0.4048 0.6273
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0009
Onchocerca volvulus 0.0043 0.0597 1
Echinococcus granulosus FTZ F1 alpha 0.0019 0.0009 0.0009
Echinococcus multilocularis protein dispatched 1 0.0058 0.0947 0.0947
Mycobacterium ulcerans L-lysine aminotransferase 0.0257 0.5676 0.8794
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0019 0.0009 0.0014
Echinococcus multilocularis thyroid hormone receptor alpha 0.0019 0.0009 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0019 0.0009 0.0009
Echinococcus granulosus nuclear factor of activated T cells 5 0.0078 0.1419 0.1419
Mycobacterium ulcerans hypothetical protein 0.0028 0.0218 0.0337
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0057 0.0922 0.1496
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.004 0.052 0.052
Trypanosoma brucei carbonic anhydrase-like protein 0.0129 0.2636 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0019 0.0009 0.0009
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0597 0.2264
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0009 0.0009
Brugia malayi Steroid receptor seven-up type 2 0.0019 0.0009 0.0009
Echinococcus multilocularis ecdysone induced protein 78C 0.0019 0.0009 0.0009
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase 0.004 0.052 0.0806
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0439 1 1
Schistosoma mansoni carbonic anhydrase 0.0029 0.0263 0.0408
Loa Loa (eye worm) carbonic anhydrase 3 0.0129 0.2636 0.2636
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0019 0.0009 0.0009
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0129 0.2636 0.4084
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0029 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0043 0.0597 0.0597
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.2389 0.2389
Trypanosoma brucei aldehyde dehydrogenase, putative 0.004 0.052 0.1973
Entamoeba histolytica protein kinase, putative 0.0439 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0263 0.0263
Loa Loa (eye worm) glutaminase 2 0.029 0.6454 0.6454
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.004 0.052 0.0806
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0009
Echinococcus multilocularis Aminotransferase class III 0.0023 0.0108 0.0108
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.3602 0.3602
Mycobacterium tuberculosis Conserved protein 0.0043 0.0597 0.0967
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.005 0.0757 0.1172
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.004 0.052 0.0806
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.1227 0.3031
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0776 0.0776
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0776 0.0776
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0189 0.4048 0.4048
Echinococcus granulosus ornithine aminotransferase 0.0023 0.0108 0.0108
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0224 0.4881 0.7563
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0078 0.1419 0.1419
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.1227 0.1227
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0597 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0019 0.0009 0.0009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0597 0.0924
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0597 0.0924
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0009 0.0009
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0776 0.0776
Onchocerca volvulus 0.0043 0.0597 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0597 0.0967
Brugia malayi glutaminase DH11.1 0.029 0.6454 0.6454
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0019 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0019 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0019 0.0009 0.0009
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0029 0.0263 0.0263
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0019 0.0009 0.0014
Treponema pallidum quinoline 2-oxidoreductase 0.0027 0.0202 0.93
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0189 0.4048 0.4048
Toxoplasma gondii aldehyde dehydrogenase 0.0189 0.4048 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0597 0.0924
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0129 0.2636 0.4084
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0023 0.0108 0.0175
Brugia malayi CHE-14 protein 0.0051 0.0776 0.0776
Brugia malayi follicle stimulating hormone receptor 0.0234 0.513 0.513
Leishmania major aldehyde dehydrogenase, putative 0.004 0.052 0.1284
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0019 0.0009 0.0009
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.4048 0.6273
Loa Loa (eye worm) hypothetical protein 0.0051 0.0776 0.0776
Loa Loa (eye worm) hypothetical protein 0.0043 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0009
Schistosoma mansoni steroid hormone receptor ad4bp 0.0019 0.0009 0.0014
Brugia malayi beta-lactamase 0.0043 0.0597 0.0597
Echinococcus multilocularis FTZ F1 alpha 0.0019 0.0009 0.0009
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.004 0.052 0.1973
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0597 0.0967
Echinococcus multilocularis carbonic anhydrase 0.0029 0.0263 0.0263
Schistosoma mansoni retinoic acid receptor RXR 0.0019 0.0009 0.0014
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.1227 0.1227
Mycobacterium ulcerans glutaminase 0.029 0.6454 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0032 0.0332 0.0514
Mycobacterium ulcerans beta-lactamase 0.0043 0.0597 0.0924
Loa Loa (eye worm) glutaminase 0.029 0.6454 0.6454
Mycobacterium tuberculosis Conserved protein 0.0043 0.0597 0.0967
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.008 0.1462 0.2265
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.1227 0.1901
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0019 0.0009 0.0009
Leishmania major hypothetical protein, conserved 0.0043 0.0597 0.1474
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0043 0.0597 0.0597
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0597 0.0967
Loa Loa (eye worm) hypothetical protein 0.0062 0.1049 0.1049
Echinococcus granulosus carbonic anhydrase 0.0029 0.0263 0.0263
Schistosoma mansoni carbonic anhydrase-related 0.0029 0.0263 0.0408
Trichomonas vaginalis glutaminase, putative 0.029 0.6454 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0597 0.2264
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.2433 0.377
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0019 0.0009 0.0009
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0009 0.0009
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0189 0.4048 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0597 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1227 0.4655
Mycobacterium ulcerans hypothetical protein 0.0023 0.0108 0.0167
Brugia malayi photoreceptor-specific nuclear receptor 0.0019 0.0009 0.0009
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.2389 0.2389
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.0108 0.0108
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0023 0.0108 0.0175
Schistosoma mansoni hypothetical protein 0.0049 0.0732 0.1134
Trichomonas vaginalis conserved hypothetical protein 0.0224 0.4881 0.7563
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.4048 0.6273
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.1227 0.1227
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0019 0.0009 0.0014
Loa Loa (eye worm) hypothetical protein 0.0043 0.0597 0.0597
Schistosoma mansoni glutaminase 0.029 0.6454 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0263 0.0263
Plasmodium falciparum ornithine aminotransferase 0.0023 0.0108 0.4089
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0597 0.0597
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0257 0.5676 0.5676
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0023 0.0108 0.0167
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0129 0.2636 0.2636
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0776 0.1202
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0597 0.0924
Loa Loa (eye worm) hypothetical protein 0.0119 0.2389 0.2389
Schistosoma mansoni hypothetical protein 0.0049 0.0732 0.1134
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0597 0.2264
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.1227 0.1227
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0009
Mycobacterium ulcerans lipase LipD 0.0043 0.0597 0.0924
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0526 0.0526
Plasmodium vivax ornithine aminotransferase, putative 0.0023 0.0108 0.1805
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0009 0.0009
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0776 0.0776
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.3602 0.3602
Loa Loa (eye worm) hypothetical protein 0.0043 0.0597 0.0597
Brugia malayi ecdysteroid receptor 0.0019 0.0009 0.0009
Schistosoma mansoni aldehyde dehydrogenase 0.0189 0.4048 0.6273
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0009 0.0014
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0009 0.0014
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0023 0.0108 0.0266
Loa Loa (eye worm) beta-lactamase 0.0043 0.0597 0.0597
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0023 0.0108 0.0167
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0029 0.0263 0.0263
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0129 0.2636 0.2636
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0597 0.0924
Mycobacterium tuberculosis Probable aldehyde dehydrogenase NAD dependent AldA (aldehyde dehydrogenase [NAD+]) 0.004 0.052 0.0843
Schistosoma mansoni serine/threonine protein kinase 0.0225 0.4914 0.7614
Toxoplasma gondii NADP-dependent succinate-semialdehyde dehydrogenase 0.004 0.052 0.1284
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0023 0.0108 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0009
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0009 0.0009
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0597 0.0967
Toxoplasma gondii hypothetical protein 0.0029 0.0263 0.0651
Echinococcus granulosus Aminotransferase class III 0.0023 0.0108 0.0108
Treponema pallidum hypothetical protein 0.0023 0.0102 0.4689

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.

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