Detailed information for compound 1235072

Basic information

Technical information
  • TDR Targets ID: 1235072
  • Name: (9a-hydroxy-3,5a-dimethyl-9-methylidene-2-oxo -3,3a,4,5,6,7,8,9b-octahydronaphtho[5,6-b]fur an-6-yl) acetate
  • MW: 308.369 | Formula: C17H24O5
  • H donors: 1 H acceptors: 3 LogP: 1.65 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)OC1CCC(=C)C2(C1(C)CCC1C2OC(=O)C1C)O
  • InChi: 1S/C17H24O5/c1-9-5-6-13(21-11(3)18)16(4)8-7-12-10(2)15(19)22-14(12)17(9,16)20/h10,12-14,20H,1,5-8H2,2-4H3
  • InChiKey: CYTCTRAEJYIZRX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (9a-hydroxy-3,5a-dimethyl-9-methylene-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g]benzofuran-6-yl) acetate
  • acetic acid (9a-hydroxy-3,5a-dimethyl-9-methylene-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g]benzofuran-6-yl) ester
  • acetic acid (9a-hydroxy-2-keto-3,5a-dimethyl-9-methylene-3,3a,4,5,6,7,8,9b-octahydrobenzo[g]benzofuran-6-yl) ester
  • (9a-hydroxy-3,5a-dimethyl-9-methylidene-2-oxo-3,3a,4,5,6,7,8,9b-octahydronaphtho[5,6-b]furan-6-yl) ethanoate
  • Nitrosine
  • 9a-Hydroxy-3,5a-dimethyl-9-methylene-2-oxododecahydronaphtho[1,2-b]furan-6-yl acetate

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 tyrosine protein phosphatase non receptor type 0.0006 0.00000056394 0.00000056394
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.052 0.052
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.004 0.0302 0.0302
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0065 0.052 0.052
Onchocerca volvulus 0.0065 0.052 0.052
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0341 0.0341
Schistosoma mansoni hypothetical protein 0.0012 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0329
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0333 0.286 0.286
Brugia malayi orphan nuclear receptor NR2E1 0.0031 0.0218 0.0218
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1151 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0056 0.0056
Onchocerca volvulus Protein ultraspiracle homolog 0.0065 0.052 0.052
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II 0.0012 0.0056 0.0056
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0329 0.0329
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0035 0.025 0.025
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0085 0.0085
Plasmodium falciparum protoporphyrinogen oxidase 0.004 0.0302 0.0877
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.12 0.12
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0329 0.0329
Trypanosoma cruzi UDP-galactopyranose mutase 0.004 0.0302 0.0302
Onchocerca volvulus 0.0333 0.286 0.286
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0379 0.0379
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0218 0.0218
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0379 0.0379
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0317 0.0317
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0065 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.004 0.0302 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0065 0.052 0.052
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.052 0.052
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0056 0.0056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0065 0.052 0.052
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0574 0.496 0.4803
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0099 0.0811 0.0811
Brugia malayi beta-lactamase family protein 0.0043 0.0329 0.0329
Leishmania major aldo-keto reductase-like protein 0.1151 1 1
Echinococcus multilocularis 0.004 0.0302 0.0302
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0329 0.0329
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.004 0.0302 0.0877
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0006 0.00000056394 0.00000056394
Loa Loa (eye worm) hypothetical protein 0.0294 0.2519 0.2519
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0031 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Leishmania major UDP-galactopyranose mutase 0.004 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0065 0.052 0.052
Brugia malayi nuclear hormone receptor family member odr-7 0.0031 0.0218 0.0218
Brugia malayi Muscleblind-like protein 0.0294 0.2519 0.2519
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0341 0.0341
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0317 0.0317
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0317 0.0317
Mycobacterium leprae Conserved hypothetical protein 0.0818 0.7089 0.6998
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Echinococcus multilocularis aldehyde reductase 0.0818 0.7089 0.7089
Loa Loa (eye worm) hypothetical protein 0.004 0.0302 0.0302
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.12 0.12
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Echinococcus granulosus aldehyde reductase 0.0818 0.7089 0.7089
Schistosoma mansoni steroid hormone receptor ad4bp 0.0065 0.052 0.052
Brugia malayi NADH-dependent xylose reductase 0.0333 0.286 0.286
Brugia malayi hypothetical protein 0.004 0.0302 0.0302
Schistosoma mansoni potassium channel beta 0.0333 0.286 0.286
Trypanosoma cruzi aldo/keto reductase, putative 0.1151 1 1
Mycobacterium ulcerans oxidoreductase 0.1151 1 1
Echinococcus multilocularis aldo keto reductase 0.1151 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0243 0.0243
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2375 0.2138
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0031 0.0218 0.0218
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0329 0.0028
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.025 0.025
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Echinococcus multilocularis aldo keto reductase 0.1151 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1151 1 1
Onchocerca volvulus 0.0043 0.0329 0.0329
Onchocerca volvulus Bile acid receptor homolog 0.0065 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0065 0.052 0.052
Mycobacterium tuberculosis Conserved protein 0.0043 0.0329 0.0028
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0099 0.0811 0.0759
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0055
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0031 0.0218 0.0218
Loa Loa (eye worm) oxidoreductase 0.1151 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0085 0.0085
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0031 0.0218 0.0218
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0065 0.052 0.052
Trichomonas vaginalis aldo-keto reductase, putative 0.0333 0.286 0.286
Trypanosoma cruzi UDP-galactopyranose mutase 0.004 0.0302 0.0302
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 0.0012 0.0056 0.0056
Echinococcus granulosus mitogen activated protein kinase 3 0.0099 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0035 0.025 0.025
Echinococcus granulosus GPCR family 2 0.0016 0.0085 0.0085
Loa Loa (eye worm) acetyltransferase 0.0143 0.12 0.12
Trypanosoma brucei prostaglandin f synthase 0.1151 1 1
Echinococcus granulosus CTD small phosphatase protein like 0.0012 0.0056 0.0056
Echinococcus granulosus mitogen activated protein kinase 0.0099 0.0811 0.0811
Trichomonas vaginalis aldo-keto reductase, putative 0.0333 0.286 0.286
Echinococcus granulosus hypothetical protein 0.1151 1 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.052 0.052
Brugia malayi nuclear receptor NHR-67 0.0031 0.0218 0.0218
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0006 0.00000056394 0.00000056394
Loa Loa (eye worm) DR-78 0.0031 0.0218 0.0218
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.0218 0.0218
Toxoplasma gondii histone lysine-specific demethylase 0.004 0.0302 0.0247
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0218 0.0218
Giardia lamblia Aldose reductase 0.1151 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0302 0.0302
Echinococcus multilocularis mitogen activated protein kinase 0.0099 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0016 0.0085 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.052 0.052
Echinococcus granulosus lysine specific histone demethylase 1A 0.004 0.0302 0.0302
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0341 0.0341
Echinococcus multilocularis thyroid hormone receptor alpha 0.0065 0.052 0.052
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.052 0.052
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0035 0.025 0.025
Mycobacterium ulcerans beta-lactamase 0.0043 0.0329 0.0028
Echinococcus granulosus muscleblind protein 0.0294 0.2519 0.2519
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Brugia malayi beta-lactamase 0.0043 0.0329 0.0329
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1151 1 1
Trichomonas vaginalis dullard protein, putative 0.0012 0.0056 0.0056
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Brugia malayi nuclear receptor RXR 0.0035 0.025 0.025
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0056 0.0056
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0085 0.0085
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1151 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.0218 0.0218
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0065 0.052 0.052
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0065 0.052 0.052
Brugia malayi hypothetical protein 0.0031 0.0218 0.0218
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0379 0.0379
Echinococcus multilocularis lysine specific histone demethylase 1A 0.004 0.0302 0.0302
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0056 0.0056
Trichomonas vaginalis aldo/keto reductase, putative 0.1151 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.025 0.025
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.004 0.0302 0.0247
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0035 0.025 0.025
Onchocerca volvulus 0.0031 0.0218 0.0218
Trichomonas vaginalis esterase, putative 0.0043 0.0329 0.0329
Echinococcus multilocularis ecdysone induced protein 78C 0.0065 0.052 0.052
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0099 0.0811 0.0811
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0031 0.0218 0.0218
Plasmodium vivax hypothetical protein, conserved 0.004 0.0302 0.0877
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0035 0.025 0.025
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.052 0.052
Plasmodium falciparum aldehyde reductase, putative 0.0333 0.286 1
Schistosoma mansoni aldo-keto reductase 0.1151 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0329 0.0329
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0333 0.286 0.286
Echinococcus granulosus aldo keto reductase 0.1151 1 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0006 0.00000056394 0.00000056394
Onchocerca volvulus 0.1151 1 1
Trypanosoma brucei protein kinase, putative 0.0099 0.0811 0.0811
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0065 0.052 0.052
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0065 0.052 0.052
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0006 0.00000056394 0.00000056394
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0031 0.0218 0.0218
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1151 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0329 0.0329
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0333 0.286 0.282
Schistosoma mansoni pol-related 0.1151 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0317 0.0262
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Trypanosoma cruzi aldo/keto reductase, putative 0.0333 0.286 0.286
Echinococcus multilocularis protoporphyrinogen oxidase 0.004 0.0302 0.0302
Echinococcus granulosus protein tyrosine phosphatase n9 0.0006 0.00000056394 0.00000056394
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1151 1 1
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein 0.0012 0.0056 0.0056
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0329 0.0028
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.0811 0.0811
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Echinococcus multilocularis 0.0012 0.0056 0.0056
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0085 0.0085
Brugia malayi nuclear receptor NHR-88 0.0065 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.004 0.0302 0.0302
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0243 0.0243
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0218 0.0218
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0006 0.00000056394 0.00000056394
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0056
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1151 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0065 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0035 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0034 0.0243 0.0243
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0117 0.0969 0.0969
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.1164 0.1164
Trichomonas vaginalis dullard protein, putative 0.0012 0.0056 0.0056
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0573 0.4951 0.4951
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0006 0.00000056394 0.00000056394
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0085 0.0085
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0099 0.0811 0.0811
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 0.0012 0.0056 0.0056
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0065 0.052 0.052
Schistosoma mansoni nuclear receptor nhr-48 0.0031 0.0218 0.0218
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0065 0.052 0.052
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0329 0.0028
Entamoeba histolytica aldose reductase, putative 0.1151 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0218 0.0218
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0286 0.0286
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0065 0.052 0.052
Brugia malayi Steroid receptor seven-up type 2 0.0065 0.052 0.052
Mycobacterium tuberculosis Conserved protein 0.0043 0.0329 0.0028
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0099 0.0811 0.0811
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0006 0.00000056394 0.00000056394
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0056 0.0056
Brugia malayi MAP kinase sur-1 0.0099 0.0811 0.0811
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Schistosoma mansoni amine oxidase 0.004 0.0302 0.0302
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0006 0.00000056394 0.00000056394
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0329 0.0329
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1151 1 1
Onchocerca volvulus 0.0031 0.0218 0.0218
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1151 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.0811 0.0811
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0329 0.0028
Onchocerca volvulus 0.1151 1 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0006 0.00000056394 0.00000056394
Brugia malayi Nuclear hormone receptor E75 0.0031 0.0218 0.0218
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0012 0.0056 0.0056
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0099 0.0811 0.0811
Echinococcus multilocularis mitogen activated protein kinase 3 0.0099 0.0811 0.0811
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0329 0.0329
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0329 0.0028
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0329 0.0329
Loa Loa (eye worm) oxidoreductase 0.1151 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0329
Schistosoma mansoni RAR-like nuclear receptor 0.0065 0.052 0.052
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.0811 0.0811
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1151 1 1
Brugia malayi conserved hypotetical protein 0.0031 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0035 0.025 0.025
Onchocerca volvulus 0.1151 1 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0329 0.0028
Chlamydia trachomatis protoporphyrinogen oxidase 0.004 0.0302 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0065 0.052 0.052
Plasmodium vivax aldehyde reductase, putative 0.0333 0.286 1
Trichomonas vaginalis dullard protein, putative 0.0012 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0294 0.2519 0.2519
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0117 0.0969 0.0969
Onchocerca volvulus 0.1151 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0329 0.0329
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0333 0.286 0.286
Giardia lamblia Kinase, CMGC MAPK 0.0099 0.0811 0.0811
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.004 0.0302 0.0877
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0006 0.00000056394 0.00000056394
Giardia lamblia Aldose reductase 0.1151 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1151 1 1
Onchocerca volvulus 0.1151 1 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.052 0.052
Brugia malayi Nuclear hormone receptor E75 0.0031 0.0218 0.0218
Mycobacterium tuberculosis Conserved protein 0.0043 0.0329 0.0028
Echinococcus multilocularis aldo keto reductase 0.1151 1 1
Mycobacterium ulcerans hypothetical protein 0.0333 0.286 0.2638
Plasmodium falciparum aldo-keto reductase, putative 0.0333 0.286 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0379 0.0379
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0065 0.052 0.052
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0031 0.0218 0.0218
Brugia malayi steroid hormone receptor 0.0065 0.052 0.052
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0329 0.0329
Echinococcus granulosus ecdysone induced protein 78C 0.0065 0.052 0.052
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0317 0.0262
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0085 0.0085
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0085 0.0085
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0333 0.286 0.282
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0065 0.052 0.052
Schistosoma mansoni hypothetical protein 0.0016 0.0085 0.0085
Plasmodium vivax protoporphyrinogen oxidase, putative 0.004 0.0302 0.0877
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.025 0.025
Echinococcus granulosus aldo keto reductase 0.1151 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1151 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0031 0.0218 0.0218
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0065 0.052 0.052
Schistosoma mansoni nuclear hormone receptor 0.0065 0.052 0.052
Schistosoma mansoni hypothetical protein 0.0016 0.0085 0.0085
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0329 0.0329
Entamoeba histolytica aldose reductase, putative 0.1151 1 1
Leishmania major hypothetical protein, conserved 0.0043 0.0329 0.0329
Mycobacterium leprae Probable lipase LipE 0.0043 0.0329 0.0028
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0006 0.00000056394 0.00000056394
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0006 0.00000056394 0.00000056394
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0286 0.0286
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1151 1 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0006 0.00000056394 0.00000056394
Trichomonas vaginalis aldo-keto reductase, putative 0.0333 0.286 0.286
Brugia malayi nuclear receptor RXR 0.0031 0.0218 0.0218
Schistosoma mansoni coup transcription factor 0.0065 0.052 0.052
Echinococcus granulosus nuclear receptor nhr 48 0.0031 0.0218 0.0218
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0218 0.0218
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1151 1 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.004 0.0302 0.0302
Echinococcus granulosus Carboxy terminal domain RNA polymerase II 0.0012 0.0056 0.0056
Schistosoma mansoni amine oxidase 0.004 0.0302 0.0302
Schistosoma mansoni hypothetical protein 0.0016 0.0085 0.0085
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Toxoplasma gondii aldose reductase, putative 0.1151 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1151 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0065 0.052 0.052
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.12 0.12
Trypanosoma brucei aldo/keto reductase, putative 0.0333 0.286 0.286
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0333 0.286 1
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.0811 0.0811
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0533 0.4607 0.4439
Schistosoma mansoni nuclear receptor 0.0031 0.0218 0.0218
Onchocerca volvulus 0.1151 1 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0329 0.0028
Onchocerca volvulus 0.0043 0.0329 0.0329
Echinococcus multilocularis aldo keto reductase 0.1151 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 0.052 0.052
Brugia malayi hypothetical protein 0.0035 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.1151 1 1
Brugia malayi ecdysone receptor 0.0031 0.0218 0.0218
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0329 0.0028
Brugia malayi amine oxidase, flavin-containing family protein 0.004 0.0302 0.0302
Echinococcus granulosus thyroid hormone receptor alpha 0.0031 0.0218 0.0218
Echinococcus granulosus FTZ F1 alpha 0.0065 0.052 0.052
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0329
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1151 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0329 0.0028
Mycobacterium leprae Possible oxidoreductase 0.0333 0.286 0.2638
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0329
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 0.052 0.052
Loa Loa (eye worm) nuclear hormone receptor 0.0031 0.0218 0.0218
Onchocerca volvulus 0.004 0.0302 0.0302
Brugia malayi photoreceptor-specific nuclear receptor 0.0065 0.052 0.052
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 0.052 0.052
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.0218 0.0218
Leishmania major hypothetical protein, conserved 0.0012 0.0056 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0333 0.286 0.286
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.004 0.0302 0.0877
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0117 0.0969 0.0969
Loa Loa (eye worm) hypothetical protein 0.004 0.0302 0.0302
Loa Loa (eye worm) oxidoreductase 0.1151 1 1
Entamoeba histolytica dual specificity protein phosphatase, putative 0.0573 0.4951 0.4951
Brugia malayi nuclear hormone receptor 0.0065 0.052 0.052
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.025 0.025
Loa Loa (eye worm) oxidoreductase 0.1151 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0329 0.0329
Onchocerca volvulus 0.0043 0.0329 0.0329
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0006 0.00000056394 0.00000056394
Schistosoma mansoni Lysine-specific histone demethylase 1 0.004 0.0302 0.0302
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0341 0.0341
Brugia malayi Nuclear hormone receptor-like 1 0.0065 0.052 0.052
Mycobacterium ulcerans lipase LipD 0.0043 0.0329 0.0028
Echinococcus multilocularis voltage gated potassium channel subunit 0.0333 0.286 0.286
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0329 0.0329
Schistosoma mansoni thyroid hormone receptor 0.0065 0.052 0.052
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0117 0.0969 0.0969
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0006 0.00000056394 0.00000056394
Brugia malayi hypothetical protein 0.0035 0.025 0.025
Schistosoma mansoni retinoic acid receptor RXR 0.0065 0.052 0.052
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0065 0.052 0.052
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0329 0.0028
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0099 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0099 0.0811 0.0811
Loa Loa (eye worm) nuclear receptor NHR-67 0.0031 0.0218 0.0218
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0341 0.0341
Brugia malayi SWIRM domain containing protein 0.004 0.0302 0.0302
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0065 0.052 0.052
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0329 0.0972
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0333 0.286 0.286
Loa Loa (eye worm) hypothetical protein 0.0043 0.0329 0.0329
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0329 0.0329
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0117 0.0969 0.0969
Trichomonas vaginalis aldo/keto reductase, putative 0.1151 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0333 0.286 0.286
Brugia malayi tailless protein 0.0031 0.0218 0.0218
Mycobacterium tuberculosis Probable oxidoreductase 0.1151 1 1
Brugia malayi nuclear receptor NHR-88 0.0031 0.0218 0.0218
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0065 0.052 0.052
Entamoeba histolytica aldose reductase, putative 0.1151 1 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.052 0.052
Schistosoma mansoni thyroid hormone receptor 0.0065 0.052 0.052
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1151 1 1
Brugia malayi hypothetical protein 0.0031 0.0218 0.0218
Schistosoma mansoni hypothetical protein 0.0016 0.0085 0.0085
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0117 0.0969 0.0969
Loa Loa (eye worm) hypothetical protein 0.0065 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Echinococcus multilocularis muscleblind protein 0.0294 0.2519 0.2519
Loa Loa (eye worm) hypothetical protein 0.0065 0.052 0.052
Trypanosoma cruzi aldo-keto reductase 0.1151 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0031 0.0218 0.0218
Schistosoma mansoni nuclear receptor 0.0031 0.0218 0.0218
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0117 0.0969 0.0969
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0006 0.00000056394 0.00000056394
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0333 0.286 0.286
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1151 1 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0286 0.082
Echinococcus multilocularis GPCR, family 2 0.0016 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.0065 0.052 0.052
Echinococcus multilocularis muscleblind protein 1 0.0294 0.2519 0.2519
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 0.052 0.052
Plasmodium vivax hypothetical protein, conserved 0.004 0.0302 0.0877
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0329 0.0028
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0065 0.052 0.052
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1151 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0065 0.052 0.052
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0317 0.093
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0341 0.0341
Schistosoma mansoni zinc finger protein 0.0031 0.0218 0.0218
Echinococcus granulosus aldo keto reductase 0.1151 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0065 0.052 0.052
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0031 0.0218 0.0218
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0065 0.052 0.052
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0006 0.00000056394 0.00000056394
Entamoeba histolytica alcohol dehydrogenase, putative 0.0333 0.286 0.286
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0065 0.052 0.052
Giardia lamblia Nuclear LIM interactor-interacting factor 1 0.0012 0.0056 0.0056
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0574 0.496 0.4803
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1151 1 1
Toxoplasma gondii aldo-keto reductase 0.0333 0.286 0.282
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.0811 0.0811
Echinococcus granulosus voltage gated potassium channel subunit 0.0333 0.286 0.286
Loa Loa (eye worm) hypothetical protein 0.004 0.0302 0.0302
Toxoplasma gondii ABC1 family protein 0.0043 0.0329 0.0274
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0035 0.025 0.025
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0065 0.052 0.052
Brugia malayi ecdysteroid receptor 0.0065 0.052 0.052
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0329 0.0329
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0056 0.0056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0065 0.052 0.052
Leishmania major prostaglandin f synthase, putative 0.1151 1 1
Brugia malayi nuclear hormone receptor 0.0031 0.0218 0.0218
Trichomonas vaginalis aldo-keto reductase, putative 0.1151 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0065 0.052 0.052
Loa Loa (eye worm) oxidoreductase 0.1151 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.1151 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0099 0.0811 0.0811
Schistosoma mansoni aldo-keto reductase 0.1151 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.0329 0.0329
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0065 0.052 0.052
Mycobacterium tuberculosis Conserved protein 0.0333 0.286 0.2638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0031 0.0218 0.0218
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0341 0.0341
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0065 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0065 0.052 0.052
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0006 0.00000056394 0.00000056394
Echinococcus multilocularis nuclear receptor nhr 48 0.0031 0.0218 0.0218

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 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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