Detailed information for compound 144369

Basic information

Technical information
  • TDR Targets ID: 144369
  • Name: (3S,6R,7S)-3-N-[2-(3,5-dimethylpiperidin-1-yl )-2-oxoethyl]-7-N-hydroxy-6-(2-methylpropyl)- 5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(1 5),12(16),13-triene-3,7-dicarboxamide
  • MW: 544.683 | Formula: C29H44N4O6
  • H donors: 4 H acceptors: 5 LogP: 3.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: ONC(=O)[C@H]1CCCOc2ccc(C[C@H](NC(=O)[C@@H]1CC(C)C)C(=O)NCC(=O)N1CC(C)CC(C1)C)cc2
  • InChi: 1S/C29H44N4O6/c1-18(2)12-24-23(28(36)32-38)6-5-11-39-22-9-7-21(8-10-22)14-25(31-27(24)35)29(37)30-15-26(34)33-16-19(3)13-20(4)17-33/h7-10,18-20,23-25,38H,5-6,11-17H2,1-4H3,(H,30,37)(H,31,35)(H,32,36)/t19?,20?,23-,24+,25-/m0/s1
  • InChiKey: ADGMBIMDSMJUKJ-AWRHUXPSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S,6R,7S)-N-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-7-(hydroxycarbamoyl)-6-isobutyl-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3-carboxamide
  • (3S,6R,7S)-N-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-7-[(hydroxyamino)-oxomethyl]-6-isobutyl-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3-carboxamide
  • (3S,6R,7S)-N3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-ethyl]-N7-hydroxy-6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3,7-dicarboxamide
  • (3S,6R,7S)-N-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]-7-(hydroxycarbamoyl)-6-isobutyl-5-keto-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3-carboxamide
  • (3S,6R,7S)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N'-hydroxy-6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3,7-dicarboxamide
  • (3S,6R,7S)-N-[2-(3,5-dimethyl-1-piperidyl)-2-keto-ethyl]-7-(hydroxycarbamoyl)-6-isobutyl-5-keto-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3-carboxamide
  • (3S,6R,7S)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-ethyl]-N'-hydroxy-6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-3,7-dicarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ADAM metallopeptidase domain 17 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K06059 a disintegrin and metalloproteinase domain 17, putative Get druggable targets OG5_132656 All targets in OG5_132656
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus granulosus adam 17 protease Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus granulosus Blood coagulation inhibitor Disintegrin Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus multilocularis adam 17 protease Get druggable targets OG5_132656 All targets in OG5_132656
Schistosoma mansoni ADAM17 peptidase (M12 family) Get druggable targets OG5_132656 All targets in OG5_132656
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Disintegrin family protein ADAM metallopeptidase domain 17 824 aa 724 aa 27.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi steroid hormone receptor 0.0234 0.4826 1
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0022 0.014 0.0289
Leishmania major hypothetical protein, conserved 0.0036 0.044 0.9774
Echinococcus granulosus disintegrin and metalloproteinase 0.0022 0.014 0.0275
Schistosoma mansoni nuclear hormone receptor 0.0111 0.2091 0.4332
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.044 0.9774
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0056 0.0056
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0022 0.014 0.0289
Brugia malayi nuclear receptor NHR-88 0.0111 0.2091 0.4332
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0234 0.4826 1
Brugia malayi Nuclear hormone receptor-like 1 0.0124 0.2384 0.4939
Echinococcus granulosus Nuclear hormone receptor HR96 0.0111 0.2091 0.4128
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Loa Loa (eye worm) hypothetical protein 0.0234 0.4826 0.4826
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.044 0.9774
Loa Loa (eye worm) beta-lactamase 0.0036 0.044 0.044
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0408 0.0845
Brugia malayi ADAMTS-like protease 0.0017 0.0014 0.0028
Onchocerca volvulus 0.0234 0.4826 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.076 0.1574
Echinococcus multilocularis muscleblind protein 1 0.0149 0.2931 0.6074
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.1644 0.1644
Brugia malayi Steroid receptor seven-up type 2 0.0234 0.4826 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0234 0.4826 0.4826
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.044 0.0911
Loa Loa (eye worm) steroid hormone receptor 0.0234 0.4826 0.4826
Loa Loa (eye worm) hypothetical protein 0.0036 0.044 0.044
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0124 0.2384 0.2384
Loa Loa (eye worm) hypothetical protein 0.0234 0.4826 0.4826
Brugia malayi MH2 domain containing protein 0.0118 0.2264 0.4691
Brugia malayi nuclear receptor NHR-88 0.0234 0.4826 1
Brugia malayi follicle stimulating hormone receptor 0.0227 0.4666 0.9667
Brugia malayi Nuclear hormone receptor E75 0.0111 0.2091 0.4332
Brugia malayi Nuclear hormone receptor-like 1 0.0234 0.4826 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0449 1
Brugia malayi beta-lactamase family protein 0.0036 0.044 0.0911
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0234 0.4826 0.9528
Schistosoma mansoni steroid hormone receptor ad4bp 0.0234 0.4826 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.1644 0.3405
Schistosoma mansoni RAR-like nuclear receptor 0.0234 0.4826 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.4704 1
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0105 0.1975 0.4091
Loa Loa (eye worm) hypothetical protein 0.0124 0.2384 0.2384
Onchocerca volvulus Protein ultraspiracle homolog 0.0234 0.4826 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0449 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0449 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0234 0.4826 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Mycobacterium leprae conserved hypothetical protein 0.0036 0.044 1
Echinococcus granulosus muscleblind protein 0.0149 0.2931 0.5787
Schistosoma mansoni coup transcription factor 0.0234 0.4826 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0056 0.5
Brugia malayi nuclear hormone receptor 0.0111 0.2091 0.4332
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0234 0.4826 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0124 0.2384 0.4939
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.044 0.0826
Brugia malayi Disintegrin family protein 0.0022 0.014 0.0289
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0124 0.2384 0.4939
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0234 0.4826 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.2384 0.2384
Loa Loa (eye worm) hypothetical protein 0.005 0.076 0.076
Schistosoma mansoni nuclear hormone receptor 0.0111 0.2091 0.4332
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0234 0.4826 1
Schistosoma mansoni ap endonuclease 0.0018 0.0056 0.0116
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0111 0.2091 0.4128
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.044 0.0826
Schistosoma mansoni ap endonuclease 0.0018 0.0056 0.0116
Schistosoma mansoni thyroid hormone receptor 0.0234 0.4826 1
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0022 0.014 0.0275
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.044 0.0911
Onchocerca volvulus 0.0111 0.2091 0.3764
Echinococcus granulosus adam 17 protease 0.0245 0.5066 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0014
Plasmodium vivax hypothetical protein, conserved 0.0036 0.044 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Echinococcus granulosus ecdysone induced protein 78C 0.0234 0.4826 0.9528
Loa Loa (eye worm) hypothetical protein 0.0234 0.4826 0.4826
Toxoplasma gondii ABC1 family protein 0.0036 0.044 0.9774
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.044 0.9774
Echinococcus multilocularis muscleblind protein 0.0149 0.2931 0.6074
Brugia malayi nuclear receptor RXR 0.0111 0.2091 0.4332
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.044 0.0826
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.044 0.9774
Loa Loa (eye worm) nuclear receptor NHR-67 0.0111 0.2091 0.2091
Brugia malayi beta-lactamase family protein 0.0036 0.044 0.0911
Brugia malayi hypothetical protein 0.0111 0.2091 0.4332
Schistosoma mansoni nuclear hormone receptor 0.0234 0.4826 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0449 0.0929
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1644 0.3405
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.044 0.9774
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0234 0.4826 1
Brugia malayi beta-lactamase 0.0036 0.044 0.0911
Schistosoma mansoni nuclear receptor nhr-48 0.0111 0.2091 0.4332
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0234 0.4826 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0111 0.2091 0.4128
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.044 0.0826
Loa Loa (eye worm) hypothetical protein 0.0234 0.4826 0.4826
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.044 0.9774
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0234 0.4826 0.9528
Schistosoma mansoni hypothetical protein 0.0034 0.0408 0.0845
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0149 0.2931 0.2931
Brugia malayi tailless protein 0.0111 0.2091 0.4332
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0234 0.4826 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0124 0.2384 0.4706
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.076 0.1574
Brugia malayi ecdysone receptor 0.0111 0.2091 0.4332
Loa Loa (eye worm) inositol-1 0.0036 0.0449 0.0449
Loa Loa (eye worm) DR-78 0.0111 0.2091 0.2091
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0234 0.4826 1
Echinococcus granulosus adam 0.0039 0.0505 0.0996
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0223 0.4575 0.9478
Mycobacterium ulcerans lipase LipD 0.0036 0.044 0.9774
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0056 0.0116
Echinococcus multilocularis adam 17 protease 0.0223 0.4575 0.9478
Brugia malayi N-terminal motif family protein 0.018 0.3616 0.7492
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0234 0.4826 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.2384 0.2384
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0234 0.4826 1
Brugia malayi ecdysteroid receptor 0.0234 0.4826 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0234 0.4826 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0056 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0365 0.0665
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0449 1
Echinococcus multilocularis disintegrin and metalloproteinase 0.0022 0.014 0.0289
Loa Loa (eye worm) hypothetical protein 0.0036 0.044 0.044
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0234 0.4826 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0234 0.4826 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0111 0.2091 0.3764
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Mycobacterium leprae Probable lipase LipE 0.0036 0.044 1
Loa Loa (eye worm) hypothetical protein 0.018 0.3616 0.3616
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1644 0.3405
Echinococcus multilocularis nuclear receptor nhr 48 0.0111 0.2091 0.4332
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0234 0.4826 1
Schistosoma mansoni thyroid hormone receptor 0.0234 0.4826 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.076 0.076
Loa Loa (eye worm) hypothetical protein 0.0036 0.044 0.044
Brugia malayi Inositol-1 0.0036 0.0449 0.0929
Loa Loa (eye worm) hypothetical protein 0.0036 0.044 0.044
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.014 0.2739 0.5408
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0111 0.2091 0.4332
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0111 0.2091 0.4128
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0234 0.4826 1
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0105 0.1975 0.4091
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.044 0.9774
Brugia malayi hypothetical protein 0.0039 0.0505 0.1046
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0449 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0449 1
Brugia malayi Nuclear hormone receptor-like 1 0.0124 0.2384 0.4939
Loa Loa (eye worm) hypothetical protein 0.0234 0.4826 0.4826
Brugia malayi hypothetical protein 0.0124 0.2384 0.4939
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.3616 0.7241
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0111 0.2091 0.4332
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0449 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.014 0.014
Brugia malayi hypothetical protein 0.0111 0.2091 0.4332
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0105 0.1975 0.3898
Echinococcus granulosus nuclear receptor nhr 48 0.0111 0.2091 0.4128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0234 0.4826 0.4826
Echinococcus multilocularis ecdysone induced protein 78C 0.0234 0.4826 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1644 0.3405
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0234 0.4826 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Echinococcus multilocularis FTZ F1 alpha 0.0234 0.4826 1
Loa Loa (eye worm) reprolysin 0.0022 0.014 0.014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0234 0.4826 0.4826
Schistosoma mansoni dihydroceramide desaturase 0.0022 0.014 0.0289
Schistosoma mansoni nuclear receptor 0.0111 0.2091 0.4332
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.4666 0.4666
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0234 0.4826 1
Brugia malayi Nuclear hormone receptor E75 0.0111 0.2091 0.4332
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0449 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.044 0.0911
Echinococcus multilocularis adam 0.0039 0.0505 0.1046
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0234 0.4826 0.9528
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Brugia malayi conserved hypotetical protein 0.0111 0.2091 0.4332
Mycobacterium ulcerans beta-lactamase 0.0036 0.044 0.9774
Schistosoma mansoni retinoic acid receptor RXR 0.0234 0.4826 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.4826 0.4826
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0111 0.2091 0.2091
Brugia malayi nuclear hormone receptor 0.0234 0.4826 1
Schistosoma mansoni zinc finger protein 0.0111 0.2091 0.4332
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0234 0.4826 0.9528
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0105 0.1975 0.4091
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0234 0.4826 0.9528
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.044 0.044
Echinococcus multilocularis thyroid hormone receptor alpha 0.0234 0.4826 1
Loa Loa (eye worm) nuclear hormone receptor 0.0111 0.2091 0.2091
Brugia malayi Muscleblind-like protein 0.0149 0.2931 0.6074
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0234 0.4826 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2264 0.2264
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0234 0.4826 0.4826
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0234 0.4826 0.9528
Mycobacterium ulcerans hypothetical protein 0.0036 0.044 0.9774
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0111 0.2091 0.4332
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0056 0.011
Brugia malayi angiogenesis inhibito 0.0017 0.0014 0.0028
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.044 0.0911
Loa Loa (eye worm) hypothetical protein 0.0124 0.2384 0.2384
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1644 0.3245
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0234 0.4826 0.4826
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0449 0.0885
Brugia malayi nuclear receptor RXR 0.0124 0.2384 0.4939
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.014 0.2739 0.5676
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0056 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0234 0.4826 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0234 0.4826 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0234 0.4826 1
Onchocerca volvulus Bile acid receptor homolog 0.0234 0.4826 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0111 0.2091 0.4128
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0111 0.2091 0.4332
Mycobacterium tuberculosis Conserved protein 0.0036 0.044 0.0826
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0449 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0449 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.4826 0.4826
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.044 0.0826
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0234 0.4826 0.4826
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2264 0.2264
Brugia malayi hypothetical protein 0.0124 0.2384 0.4939
Loa Loa (eye worm) hypothetical protein 0.0234 0.4826 0.4826
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1644 0.3245
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0234 0.4826 1
Brugia malayi ADAM-TS Spacer 1 family protein 0.0017 0.0014 0.0028
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0111 0.2091 0.4332
Mycobacterium tuberculosis Conserved protein 0.0036 0.044 0.0826
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.044 0.0826
Loa Loa (eye worm) hypothetical protein 0.0036 0.044 0.044
Brugia malayi orphan nuclear receptor NR2E1 0.0111 0.2091 0.4332
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0124 0.2384 0.4939
Schistosoma mansoni nuclear receptor 0.0111 0.2091 0.4332
Brugia malayi nuclear receptor NHR-67 0.0111 0.2091 0.4332
Echinococcus granulosus FTZ F1 alpha 0.0234 0.4826 0.9528
Trichomonas vaginalis esterase, putative 0.0036 0.044 0.9774
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0111 0.2091 0.4332
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0111 0.2091 0.3764
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0111 0.2091 0.4332
Onchocerca volvulus 0.0111 0.2091 0.3764
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0449 0.0929
Loa Loa (eye worm) hypothetical protein 0.0111 0.2091 0.2091
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.044 0.9774
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0449 1
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0022 0.014 0.0289
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0234 0.4826 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0234 0.4826 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.044 0.0868
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0234 0.4826 1
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.044 0.0826
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1644 0.3405
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0234 0.4826 0.4826
Mycobacterium tuberculosis Conserved protein 0.0036 0.044 0.0826
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1644 0.3405
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0111 0.2091 0.4332
Schistosoma mansoni inositol monophosphatase 0.0036 0.0449 0.0929
Loa Loa (eye worm) hypothetical protein 0.0149 0.2931 0.2931
Loa Loa (eye worm) hypothetical protein 0.0036 0.044 0.044
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0234 0.4826 0.9528
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0039 0.0505 0.1046
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0056 0.5
Brugia malayi nuclear hormone receptor family member nhr-6 0.0111 0.2091 0.4332
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.044 0.9774
Brugia malayi nuclear hormone receptor family member odr-7 0.0111 0.2091 0.4332
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0234 0.4826 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.2384 0.2384
Loa Loa (eye worm) hypothetical protein 0.0034 0.0408 0.0408
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.044 0.9774

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.27 uM Inhibition of LPS-stimulated TNF-alpha release in human whole blood ChEMBL. 11472217
IC50 (functional) = 0.27 uM Inhibition of LPS-stimulated TNF-alpha release in human whole blood ChEMBL. 11472217
Inhibition (functional) = 15 % Effects of 10 mg/Kg p.o. on LPS stimulated TNF-alpha release in mice. ChEMBL. 11472217
Inhibition (functional) = 15 % Effects of 10 mg/Kg p.o. on LPS stimulated TNF-alpha release in mice. ChEMBL. 11472217

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

1 literature reference was collected for this gene.

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