Detailed information for compound 1456560

Basic information

Technical information
  • TDR Targets ID: 1456560
  • Name: N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylam ino)-2-oxoethyl]cyclohexanecarboxamide
  • MW: 431.611 | Formula: C25H41N3O3
  • H donors: 2 H acceptors: 2 LogP: 3.57 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C12CC3CC(C2)CC(C1)C3)NC(=O)C1CCCCC1)NCCN1CCOCC1
  • InChi: 1S/C25H41N3O3/c29-23(21-4-2-1-3-5-21)27-22(24(30)26-6-7-28-8-10-31-11-9-28)25-15-18-12-19(16-25)14-20(13-18)17-25/h18-22H,1-17H2,(H,26,30)(H,27,29)
  • InChiKey: DZFPLIIZILEVQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(1-adamantyl)-2-(2-morpholinoethylamino)-2-oxo-ethyl]cyclohexanecarboxamide
  • N-[1-(1-adamantyl)-2-(2-morpholinoethylamino)-2-oxoethyl]cyclohexanecarboxamide
  • N-[1-(1-adamantyl)-2-keto-2-(2-morpholinoethylamino)ethyl]cyclohexanecarboxamide
  • N-[1-(1-adamantyl)-2-(2-morpholin-4-ylethylamino)-2-oxo-ethyl]cyclohexanecarboxamide
  • MLS000536970
  • N-(1-(1-adamantyl)-2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)cyclohexanecarboxamide
  • SMR000143607

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus granulosus thyroid hormone receptor alpha 0.003 0.0065 0.0162
Loa Loa (eye worm) steroid hormone receptor 0.0063 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0043 0.0145 0.0145
Loa Loa (eye worm) RNA binding protein 0.0529 0.2964 0.2964
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.0257 0.0257
Brugia malayi isocitrate dehydrogenase 0.0361 0.1988 0.1988
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Brugia malayi Tyrosine-protein kinase abl-1 0.0408 0.226 0.226
Toxoplasma gondii aspartyl protease ASP1 0.0114 0.0555 0.2629
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.003 0.0065 0.0099
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0044 0.0147 0.0147
Brugia malayi nuclear hormone receptor 0.0063 0.0257 0.0257
Plasmodium vivax ataxin-2 like protein, putative 0.021 0.111 0.5481
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.018 0.019
Echinococcus multilocularis Nuclear hormone receptor HR96 0.003 0.0065 0.0162
Plasmodium vivax aspartyl protease, putative 0.0027 0.0049 0.0028
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0069 0.0296 0.0772
Loa Loa (eye worm) aspartyl protease 6 0.0027 0.0049 0.0049
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0361 0.1988 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0257 0.0257
Schistosoma mansoni tyrosine kinase 0.0022 0.0019 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0063 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.109 0.6219 0.6219
Loa Loa (eye worm) hypothetical protein 0.0255 0.1374 0.1374
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0145 0.0228
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0361 0.1988 0.5232
Schistosoma mansoni hypothetical protein 0.109 0.6219 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0019 0.0003 0.0003
Brugia malayi RNA binding protein 0.0529 0.2964 0.2964
Brugia malayi Eukaryotic aspartyl protease family protein 0.0027 0.0049 0.0049
Echinococcus multilocularis Nuclear hormone receptor HR96 0.003 0.0065 0.0162
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0063 0.0257 0.067
Schistosoma mansoni glycosyltransferase-related 0.0072 0.0309 0.0492
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0361 0.1988 0.5232
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0145 0.0374
Echinococcus granulosus ecdysone induced protein 78C 0.0063 0.0257 0.067
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0331 0.0864
Toxoplasma gondii aspartyl protease ASP3 0.0027 0.0049 0.0028
Plasmodium falciparum plasmepsin VIII, putative 0.0027 0.0049 0.0028
Echinococcus multilocularis Glycosyltransferase protein LARGE1 0.0053 0.0202 0.0523
Echinococcus multilocularis mothers against decapentaplegic 5 0.0119 0.0581 0.1524
Schistosoma mansoni thyroid hormone receptor 0.0063 0.0257 0.0409
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0533 0.2989 0.7869
Brugia malayi Probable ClpP-like protease 0.0076 0.0331 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0063 0.0257 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0063 0.0257 0.0257
Schistosoma mansoni memapsin-2 (A01 family) 0.0027 0.0049 0.0074
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0145 0.0521
Loa Loa (eye worm) SRC-1 0.0022 0.0019 0.0019
Brugia malayi hypothetical protein 0.0135 0.0678 0.0678
Schistosoma mansoni coup transcription factor 0.0063 0.0257 0.0409
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0331 0.1478
Brugia malayi aspartic protease BmAsp-1, identical 0.0027 0.0049 0.0049
Loa Loa (eye worm) pax transcription factor protein 2 0.0247 0.1325 0.1325
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0027 0.0049 0.0049
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0063 0.0257 0.0257
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0044 0.0147 0.038
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0361 0.1988 1
Brugia malayi Nuclear hormone receptor E75 0.003 0.0065 0.0065
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0063 0.0257 0.0409
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0044 0.0147 0.038
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0504 0.2821 0.7425
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0331 1
Plasmodium falciparum plasmepsin III 0.0027 0.0049 0.0028
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0119 0.0581 0.093
Brugia malayi hypothetical protein 0.0035 0.0096 0.0096
Echinococcus granulosus tyrosine protein kinase Fyn 0.0022 0.0019 0.0041
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0063 0.0257 0.0409
Brugia malayi Latrophilin receptor protein 2 0.0504 0.2821 0.2821
Brugia malayi Glycosyl transferase family 8 protein 0.0072 0.0309 0.0309
Schistosoma mansoni tyrosine kinase 0.0022 0.0019 0.0025
Toxoplasma gondii LsmAD domain-containing protein 0.021 0.111 0.5481
Loa Loa (eye worm) Smad1 0.0119 0.0581 0.0581
Brugia malayi nuclear hormone receptor family member odr-7 0.003 0.0065 0.0065
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0044 0.0147 0.0117
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0063 0.0257 0.1632
Brugia malayi Variant SH3 domain containing protein 0.0019 0.0003 0.0003
Trypanosoma cruzi PAB1-binding protein , putative 0.021 0.111 0.5233
Schistosoma mansoni unc-13 (munc13) 0.0044 0.0147 0.0232
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0044 0.0147 0.0147
Brugia malayi Smad1 0.0119 0.0581 0.0581
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0361 0.1988 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0049 0.0074
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0504 0.2821 0.7425
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0022 0.0019 0.0041
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0022 0.0019 0.0041
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1594 0.9147 0.9147
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0063 0.0257 0.0409
Brugia malayi N-terminal motif family protein 0.0182 0.095 0.095
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0027 0.0049 0.0049
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0033 0.0085 0.0085
Schistosoma mansoni Smad4 0.0053 0.02 0.0317
Brugia malayi orphan nuclear receptor NR2E1 0.003 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0504 0.2821 0.2821
Toxoplasma gondii aspartyl protease 0.0027 0.0049 0.0028
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0114 0.0555 0.0555
Loa Loa (eye worm) beta-lactamase 0.0043 0.0145 0.0145
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0022 0.0019 0.0041
Brugia malayi nuclear receptor NHR-67 0.003 0.0065 0.0065
Toxoplasma gondii isocitrate dehydrogenase 0.0361 0.1988 1
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0044 0.0147 0.0232
Schistosoma mansoni hypothetical protein 0.0504 0.2821 0.4533
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0114 0.0555 1
Echinococcus multilocularis GPCR, family 2 0.0504 0.2821 0.7425
Echinococcus granulosus Glycosyltransferase protein LARGE1 0.0053 0.0202 0.0523
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0022 0.0019 0.0041
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0063 0.0257 0.0409
Echinococcus granulosus TGF beta signal transducer SmadC 0.0119 0.0581 0.1524
Brugia malayi hypothetical protein 0.021 0.111 0.111
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.003 0.0065 0.0162
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0145 0.0145
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0114 0.0555 0.1454
Toxoplasma gondii ABC1 family protein 0.0043 0.0145 0.0521
Leishmania major hypothetical protein, conserved 0.021 0.111 0.5233
Loa Loa (eye worm) hypothetical protein 0.0043 0.0145 0.0145
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0361 0.1988 0.5232
Loa Loa (eye worm) hypothetical protein 0.021 0.111 0.111
Schistosoma mansoni tar DNA-binding protein 0.0529 0.2964 0.4764
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0033 0.0085 0.0217
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Plasmodium falciparum plasmepsin I 0.0114 0.0555 0.2629
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0094 0.0438 0.1147
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.0257 0.067
Loa Loa (eye worm) hypothetical protein 0.0063 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0063 0.0257 0.0257
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0145 0.0374
Plasmodium vivax aspartyl protease, putative 0.0027 0.0049 0.0028
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0063 0.0257 0.067
Plasmodium vivax aspartyl proteinase, putative 0.0027 0.0049 0.0028
Schistosoma mansoni smad 0.0119 0.0581 0.093
Schistosoma mansoni retinoic acid receptor RXR 0.0063 0.0257 0.0409
Plasmodium falciparum plasmepsin VII 0.0027 0.0049 0.0028
Schistosoma mansoni cathepsin D (A01 family) 0.0336 0.1846 0.2964
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0063 0.0257 0.0257
Brugia malayi Calcitonin receptor-like protein seb-1 0.1594 0.9147 0.9147
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0063 0.0257 0.067
Schistosoma mansoni hypothetical protein 0.0094 0.0438 0.07
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0065 0.0162
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0022 0.0019 0.0041
Brugia malayi MH1 domain containing protein 0.0066 0.0273 0.0273
Echinococcus multilocularis tar DNA binding protein 0.0529 0.2964 0.7804
Schistosoma mansoni thyroid hormone receptor 0.0063 0.0257 0.0409
Plasmodium vivax aspartyl protease, putative 0.0027 0.0049 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 0.0257 0.0257
Brugia malayi Pax transcription factor protein 2 0.0247 0.1325 0.1325
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0063 0.0257 0.0257
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0673 0.3798 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0529 0.2964 0.2964
Brugia malayi ecdysone receptor 0.003 0.0065 0.0065
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0533 0.2989 0.7869
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.003 0.0065 0.0121
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0049 0.0074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 0.0257 0.0257
Brugia malayi steroid hormone receptor 0.0063 0.0257 0.0257
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0331 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0274 0.1484 0.1484
Loa Loa (eye worm) hypothetical protein 0.1594 0.9147 0.9147
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0063 0.0257 0.067
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0063 0.0257 0.0257
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0361 0.1988 0.5232
Echinococcus granulosus mothers against decapentaplegic 5 0.0119 0.0581 0.1524
Echinococcus granulosus smad 0.0119 0.0581 0.1524
Brugia malayi MH2 domain containing protein 0.0119 0.0581 0.0581
Brugia malayi hypothetical protein 0.003 0.0065 0.0065
Brugia malayi Sex muscle abnormal protein 5 0.0019 0.0003 0.0003
Brugia malayi beta-lactamase family protein 0.0043 0.0145 0.0145
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0019 0.0003 0.0003
Leishmania major isocitrate dehydrogenase, putative 0.0044 0.0147 0.0012
Echinococcus multilocularis Glycosyl transferase, family 8 0.0072 0.0309 0.0806
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0063 0.0257 0.0257
Echinococcus granulosus Smad4 0.0119 0.0581 0.1524
Plasmodium vivax plasmepsin IV, putative 0.0114 0.0555 0.2629
Brugia malayi Variant SH3 domain containing protein 0.0019 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0076 0.0331 0.0331
Schistosoma mansoni hypothetical protein 0.0504 0.2821 0.4533
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0096 0.015
Schistosoma mansoni tyrosine kinase 0.0022 0.0019 0.0025
Plasmodium vivax plasmepsin V, putative 0.0027 0.0049 0.0028
Brugia malayi RNA recognition motif domain containing protein 0.0529 0.2964 0.2964
Echinococcus multilocularis ecdysone induced protein 78C 0.0063 0.0257 0.067
Schistosoma mansoni RAR-like nuclear receptor 0.0063 0.0257 0.0409
Echinococcus multilocularis conserved hypothetical protein 0.0053 0.0202 0.0523
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0043 0.0145 0.0145
Echinococcus multilocularis thyroid hormone receptor alpha 0.0063 0.0257 0.067
Brugia malayi nuclear receptor NHR-88 0.003 0.0065 0.0065
Brugia malayi MH1 domain containing protein 0.0119 0.0581 0.0581
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0331 0.1478
Onchocerca volvulus 0.0043 0.0145 0.0751
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0331 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.018 0.0466
Schistosoma mansoni hypothetical protein 0.0035 0.0096 0.015
Loa Loa (eye worm) transcription factor SMAD2 0.1741 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0044 0.0147 0.038
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 0.0257 0.0257
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0114 0.0555 0.0888
Loa Loa (eye worm) MH2 domain-containing protein 0.0053 0.02 0.02
Brugia malayi nuclear hormone receptor 0.003 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0027 0.0049 0.0049
Echinococcus granulosus tyrosine protein kinase Src42A 0.0022 0.0019 0.0041
Schistosoma mansoni tar DNA-binding protein 0.0529 0.2964 0.4764
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.018 0.4744
Loa Loa (eye worm) DR-78 0.003 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0033 0.0085 0.0085
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0044 0.0147 0.36
Loa Loa (eye worm) hypothetical protein 0.0063 0.0257 0.0257
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.0257 0.067
Schistosoma mansoni tar DNA-binding protein 0.0529 0.2964 0.4764
Brugia malayi Pepsin A precursor 0.0027 0.0049 0.0049
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0044 0.0147 0.0147
Onchocerca volvulus Protein ultraspiracle homolog 0.0063 0.0257 0.1632
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0114 0.0555 0.2629
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0063 0.0257 0.0409
Schistosoma mansoni hypothetical protein 0.0504 0.2821 0.4533
Schistosoma mansoni smad1 5 8 and 0.0119 0.0581 0.093
Entamoeba histolytica tartrate dehydrogenase, putative 0.0044 0.0147 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.0063 0.0257 0.0257
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0331 0.0864
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0361 0.1988 1
Plasmodium falciparum plasmepsin V 0.0027 0.0049 0.0028
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0096 0.0245
Echinococcus multilocularis tyrosine protein kinase Abl 0.0274 0.1484 0.3904
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0049 0.0074
Brugia malayi hypothetical protein 0.0027 0.0049 0.0049
Brugia malayi Nuclear hormone receptor E75 0.003 0.0065 0.0065
Echinococcus granulosus mothers against decapentaplegic 2 0.0053 0.02 0.052
Schistosoma mansoni nuclear hormone receptor 0.003 0.0065 0.0099
Brugia malayi hypothetical protein 0.0027 0.0049 0.0049
Schistosoma mansoni tar DNA-binding protein 0.0529 0.2964 0.4764
Schistosoma mansoni smad 0.0053 0.02 0.0317
Echinococcus multilocularis nuclear receptor nhr 48 0.003 0.0065 0.0162
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0069 0.0296 0.0772
Brugia malayi Probable isocitrate dehydrogenase 0.0044 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0043 0.0145 0.0145
Echinococcus granulosus tyrosine protein kinase Src64B 0.0022 0.0019 0.0041
Echinococcus granulosus tyrosine protein kinase Lyn 0.0022 0.0019 0.0041
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0063 0.0257 0.0257
Brugia malayi hypothetical protein 0.0033 0.0085 0.0085
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0096 0.0245
Plasmodium falciparum plasmepsin IV 0.0114 0.0555 0.2629
Echinococcus granulosus tar DNA binding protein 0.0529 0.2964 0.7804
Loa Loa (eye worm) MH1 domain-containing protein 0.0119 0.0581 0.0581
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0331 1
Brugia malayi SRC-1 0.0022 0.0019 0.0019
Schistosoma mansoni tyrosine kinase 0.0663 0.3742 0.6015
Onchocerca volvulus 0.0063 0.0257 0.1632
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0504 0.2821 0.7425
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.003 0.0065 0.0162
Loa Loa (eye worm) hypothetical protein 0.0295 0.1604 0.1604
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0022 0.0019 0.0041
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.0033 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0049 0.0074
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0049 0.0074
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0022 0.0019 0.0041
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0022 0.0019 0.0041
Loa Loa (eye worm) MH2 domain-containing protein 0.1741 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0063 0.0257 0.1632
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0361 0.1988 0.5232
Loa Loa (eye worm) hypothetical protein 0.0182 0.095 0.095
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0063 0.0257 0.0257
Plasmodium falciparum plasmepsin IX 0.0027 0.0049 0.0028
Echinococcus multilocularis isocitrate dehydrogenase 0.0361 0.1988 0.5232
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0022 0.0019 0.0041
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0361 0.1988 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0331 1
Echinococcus multilocularis FTZ F1 alpha 0.0063 0.0257 0.067
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0063 0.0257 0.0257
Echinococcus multilocularis mothers against decapentaplegic 2 0.0053 0.02 0.052
Echinococcus granulosus Nuclear hormone receptor HR96 0.003 0.0065 0.0162
Loa Loa (eye worm) TAR-binding protein 0.0529 0.2964 0.2964
Brugia malayi hypothetical protein 0.0033 0.0085 0.0085
Plasmodium falciparum ataxin-2 like protein, putative 0.021 0.111 0.5481
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Plasmodium falciparum plasmepsin VI 0.0114 0.0555 0.2629
Schistosoma mansoni smad1 5 8 and 0.0119 0.0581 0.093
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0049 0.0074
Loa Loa (eye worm) hypothetical protein 0.0063 0.0257 0.0257
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0331 0.1478
Schistosoma mansoni steroid hormone receptor ad4bp 0.0063 0.0257 0.0409
Echinococcus multilocularis smad 0.0119 0.0581 0.1524
Brugia malayi tailless protein 0.003 0.0065 0.0065
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0581 0.0581
Echinococcus multilocularis c src tyrosine kinase 0.0022 0.0019 0.0041
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0044 0.0147 0.0053
Brugia malayi beta-lactamase family protein 0.0043 0.0145 0.0145
Echinococcus granulosus c src tyrosine kinase 0.0022 0.0019 0.0041
Echinococcus granulosus Nuclear hormone receptor HR96 0.003 0.0065 0.0162
Trypanosoma cruzi PAB1-binding protein , putative 0.021 0.111 0.5233
Loa Loa (eye worm) hypothetical protein 0.0114 0.0555 0.0555
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0022 0.0019 0.0041
Brugia malayi beta-lactamase 0.0043 0.0145 0.0145
Trypanosoma brucei PAB1-binding protein , putative 0.021 0.111 0.5233
Loa Loa (eye worm) isocitrate dehydrogenase 0.0361 0.1988 0.1988
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0022 0.0019 0.0025
Loa Loa (eye worm) hypothetical protein 0.0063 0.0257 0.0257
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0361 0.1988 1
Onchocerca volvulus 0.0247 0.1325 1
Brugia malayi MH2 domain containing protein 0.0119 0.0581 0.0581
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0065 0.0162
Echinococcus granulosus nuclear receptor nhr 48 0.003 0.0065 0.0162
Brugia malayi ecdysteroid receptor 0.0063 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0504 0.2817 0.2817
Schistosoma mansoni cathepsin D (A01 family) 0.0336 0.1846 0.2964
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.018 0.019
Plasmodium falciparum plasmepsin X 0.0027 0.0049 0.0028
Brugia malayi MH2 domain containing protein 0.0053 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0044 0.0147 0.0147
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0022 0.0019 0.0041
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0145 0.0228
Loa Loa (eye worm) nuclear hormone receptor 0.05 0.2796 0.2796
Loa Loa (eye worm) TK/ABL protein kinase 0.0673 0.3798 0.3798
Loa Loa (eye worm) nuclear receptor NHR-67 0.003 0.0065 0.0065
Brugia malayi latrophilin 2 splice variant baaae 0.109 0.6219 0.6219
Echinococcus multilocularis Smad4 0.0119 0.0581 0.1524
Brugia malayi hypothetical protein 0.003 0.0065 0.0065
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0069 0.0296 0.0772
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0069 0.0296 0.0772
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0063 0.0257 0.067
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0022 0.0019 0.0041
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0063 0.0257 0.0409
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0033 0.0085 0.0217
Onchocerca volvulus 0.0043 0.0145 0.0751
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0063 0.0257 0.067
Loa Loa (eye worm) hypothetical protein 0.0043 0.0145 0.0145
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0331 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0504 0.2821 0.7425
Echinococcus granulosus tyrosine protein kinase ABL1 0.0673 0.3798 1
Brugia malayi nuclear receptor NHR-88 0.0063 0.0257 0.0257
Loa Loa (eye worm) nuclear factor I 0.0066 0.0273 0.0273
Brugia malayi TAR-binding protein 0.0529 0.2964 0.2964
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1594 0.9147 0.9147
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0033 0.0085 0.0085
Schistosoma mansoni nuclear hormone receptor 0.0063 0.0257 0.0409
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0049 0.0074
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0361 0.1988 1
Schistosoma mansoni isocitrate dehydrogenase 0.0044 0.0147 0.0232
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0331 0.1478
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0094 0.0438 0.1147
Echinococcus granulosus tyrosine protein kinase Fyn 0.0022 0.0019 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0504 0.2821 0.2821
Loa Loa (eye worm) hypothetical protein 0.0043 0.0145 0.0145
Mycobacterium leprae Probable lipase LipE 0.0043 0.0145 0.3524
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0063 0.0257 0.067
Brugia malayi Steroid receptor seven-up type 2 0.0533 0.2989 0.2989
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Schistosoma mansoni tyrosine kinase 0.0022 0.0019 0.0025
Brugia malayi Isocitrate dehydrogenase 0.0361 0.1988 0.1988
Brugia malayi MH1 domain containing protein 0.0119 0.0581 0.0581
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0085 0.0132
Echinococcus granulosus peptidase Clp S14 family 0.005 0.018 0.0466
Loa Loa (eye worm) hypothetical protein 0.0066 0.0273 0.0273
Brugia malayi photoreceptor-specific nuclear receptor 0.0295 0.1604 0.1604
Loa Loa (eye worm) hypothetical protein 0.0019 0.0003 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0529 0.2964 0.4764
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0063 0.0257 0.0257
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.003 0.0065 0.0065
Echinococcus multilocularis mothers against decapentaplegic 6 0.0053 0.02 0.052
Schistosoma mansoni smad1 5 8 and 0.0119 0.0581 0.093
Schistosoma mansoni nuclear receptor 0.003 0.0065 0.0099
Echinococcus granulosus Glycosyl transferase family 8 0.0072 0.0309 0.0806
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Brugia malayi nuclear receptor RXR 0.0033 0.0085 0.0085
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0044 0.0147 0.0147
Echinococcus granulosus tyrosine protein kinase Fyn 0.0022 0.0019 0.0041
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.003 0.0065 0.0099
Plasmodium falciparum ataxin-2 like protein, putative 0.021 0.111 0.5481
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0361 0.1988 0.3194
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.0257 0.067
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0044 0.0147 0.038
Schistosoma mansoni nuclear hormone receptor 0.003 0.0065 0.0099
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.0257 0.067
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0044 0.0147 0.0012
Brugia malayi Probable isocitrate dehydrogenase 0.0044 0.0147 0.0147
Schistosoma mansoni zinc finger protein 0.003 0.0065 0.0099
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0063 0.0257 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 0.0257 0.0257
Schistosoma mansoni hypothetical protein 0.0504 0.2821 0.4533
Onchocerca volvulus 0.003 0.0065 0.0121
Brugia malayi mothers against decapentaplegic homolog 3 0.0053 0.02 0.02
Echinococcus granulosus GPCR family 2 0.0504 0.2821 0.7425
Echinococcus granulosus FTZ F1 alpha 0.0063 0.0257 0.067
Brugia malayi MH1 domain containing protein 0.0066 0.0273 0.0273
Brugia malayi nuclear hormone receptor family member nhr-6 0.003 0.0065 0.0065
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0145 0.3524
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0053 0.02 0.1185
Toxoplasma gondii isocitrate dehydrogenase 0.0361 0.1988 1
Plasmodium vivax aspartyl proteinase, putative 0.0114 0.0555 0.2629
Brugia malayi nuclear receptor RXR 0.003 0.0065 0.0065
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0022 0.0019 0.0041
Schistosoma mansoni Smad4 0.0119 0.0581 0.093
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0027 0.0049 0.0028
Plasmodium falciparum plasmepsin II 0.0114 0.0555 0.2629
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0085 0.0085
Schistosoma mansoni nuclear receptor nhr-48 0.003 0.0065 0.0099
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.003 0.0065 0.0162
Schistosoma mansoni Smad4 0.0053 0.02 0.0317
Loa Loa (eye worm) hypothetical protein 0.0504 0.2821 0.2821
Brugia malayi conserved hypotetical protein 0.003 0.0065 0.0065
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.095 0.7065
Loa Loa (eye worm) nuclear receptor nhr-7B 0.003 0.0065 0.0065
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1505 0.7378
Loa Loa (eye worm) MH1 domain-containing protein 0.0053 0.02 0.02
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0119 0.0581 0.1524
Onchocerca volvulus 0.0043 0.0145 0.0751
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0033 0.0085 0.0132
Schistosoma mansoni nuclear receptor 0.003 0.0065 0.0099
Onchocerca volvulus 0.003 0.0065 0.0121
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.003 0.0065 0.0121
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0027 0.0049 0.0074
Echinococcus granulosus mothers against decapentaplegic 6 0.0053 0.02 0.052
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0065
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 0.0257 0.0257
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0072 0.0309 0.0309
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0114 0.0555 0.1454
Brugia malayi aspartic protease BmAsp-2, identical 0.0027 0.0049 0.0049
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0331 0.0528
Loa Loa (eye worm) hypothetical protein 0.0053 0.02 0.02
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0331 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0063 0.0257 0.0257
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0361 0.1988 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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