Detailed information for compound 1529952

Basic information

Technical information
  • TDR Targets ID: 1529952
  • Name: methyl 2-(3,4-diacetyl-2,5-dimethylpyrrol-1-y l)acetate
  • MW: 251.278 | Formula: C13H17NO4
  • H donors: 0 H acceptors: 3 LogP: 0.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cn1c(C)c(c(c1C)C(=O)C)C(=O)C
  • InChi: 1S/C13H17NO4/c1-7-12(9(3)15)13(10(4)16)8(2)14(7)6-11(17)18-5/h6H2,1-5H3
  • InChiKey: QPNCUBGFAWVDPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-(3,4-diacetyl-2,5-dimethyl-pyrrol-1-yl)acetate
  • 2-(3,4-diacetyl-2,5-dimethyl-1-pyrrolyl)acetic acid methyl ester
  • 2-(3,4-diacetyl-2,5-dimethyl-pyrrol-1-yl)acetic acid methyl ester
  • methyl 2-(3,4-diethanoyl-2,5-dimethyl-pyrrol-1-yl)ethanoate
  • EU-0046995
  • ZINC00313598
  • (3,4-Diacetyl-2,5-dimethyl-pyrrol-1-yl)-acetic acid methyl ester
  • MLS000033977
  • SMR000012816
  • STK015185
  • BAS 04358812

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
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 tm gpcr rhodopsin 0.0037 0.0546 0.187
Schistosoma mansoni amine GPCR 0.0037 0.0546 0.0546
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0324 0.1111
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0037 0.0546 0.187
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0037 0.0546 0.187
Mycobacterium tuberculosis Probable dehydrogenase 0.0206 0.6895 0.8886
Brugia malayi G-protein coupled receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus granulosus serotonin receptor 0.0037 0.0546 0.187
Echinococcus granulosus fmrfamide receptor 0.0037 0.0546 0.187
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0031 0.0324 1
Trypanosoma cruzi trypanothione reductase, putative 0.009 0.2544 0.8721
Echinococcus multilocularis neuropeptide FF receptor 2 0.0037 0.0546 0.187
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.0324 0.1274
Plasmodium falciparum glutathione reductase 0.009 0.2544 1
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2917 1
Brugia malayi glutathione reductase 0.009 0.2544 0.8721
Echinococcus granulosus neuropeptide s receptor 0.0037 0.0546 0.187
Schistosoma mansoni opsin-like receptor 0.0037 0.0546 0.0546
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0037 0.0546 0.0546
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0023 0.0012 0.004
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.0546 0.187
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.0546 0.0546
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus granulosus dro:myosuppressin receptor 0.0037 0.0546 0.187
Trypanosoma cruzi trypanothione reductase, putative 0.0031 0.0324 0.1111
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0037 0.0546 0.187
Echinococcus granulosus thioredoxin glutathione reductase 0.0091 0.2564 0.879
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0031 0.0324 0.0324
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Mycobacterium tuberculosis Probable reductase 0.0206 0.6895 0.8886
Echinococcus granulosus sex peptide receptor 0.0037 0.0546 0.187
Plasmodium falciparum thioredoxin reductase 0.0031 0.0324 0.1274
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0037 0.0546 0.187
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.0546 0.0546
Echinococcus granulosus hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) glutathione reductase 0.009 0.2544 0.8721
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.0546 0.0546
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.2917 1
Echinococcus granulosus g protein coupled receptor 0.0037 0.0546 0.187
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0037 0.0546 0.0546
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0206 0.6895 0.8886
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0023 0.0012 0.004
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0324 0.1111
Schistosoma mansoni kinase 0.0051 0.1063 0.1063
Schistosoma mansoni biogenic amine (5HT) receptor 0.0037 0.0546 0.0546
Echinococcus granulosus neuropeptides capa receptor 0.0037 0.0546 0.187
Echinococcus granulosus biogenic amine 5HT receptor 0.0037 0.0546 0.187
Echinococcus multilocularis fmrfamide receptor 0.0037 0.0546 0.187
Schistosoma mansoni amine GPCR 0.0037 0.0546 0.0546
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0037 0.0546 0.187
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) neuropeptide F receptor 0.0037 0.0546 0.187
Schistosoma mansoni histamine h1 receptor 0.0037 0.0546 0.0546
Schistosoma mansoni neuropeptide receptor 0.0037 0.0546 0.0546
Schistosoma mansoni biogenic amine receptor 0.0037 0.0546 0.0546
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.0546 0.0546
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Brugia malayi neuropeptide F receptor 0.0037 0.0546 0.187
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.0546 0.187
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0037 0.0546 0.187
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0324 0.1111
Trypanosoma brucei polo-like protein kinase 0.01 0.2917 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Schistosoma mansoni hypothetical protein 0.0037 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus granulosus somatostatin receptor 0.0037 0.0546 0.187
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.2917 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0037 0.0546 0.0546
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) TYRA-2 protein 0.0037 0.0546 0.187
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0031 0.0324 1
Schistosoma mansoni neuropeptide receptor 0.0037 0.0546 0.0546
Brugia malayi Dopamine receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0324 0.1111
Brugia malayi sulfakinin receptor protein 0.0037 0.0546 0.187
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.0324 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus multilocularis g protein coupled receptor 0.0037 0.0546 0.187
Echinococcus granulosus 7TM GPCR rhodopsin 0.0037 0.0546 0.187
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0324 0.1111
Echinococcus granulosus tachykinin peptides receptor 99D 0.0037 0.0546 0.187
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0037 0.0546 0.0546
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0229 0.776 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0037 0.0546 0.0546
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.0324 0.1111
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.0324 0.1274
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0037 0.0546 0.0546
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.0546 0.187
Brugia malayi neuropeptide F receptor 0.0037 0.0546 0.187
Giardia lamblia Kinase, PLK 0.01 0.2917 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0324 0.1111
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.0546 0.0546
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.009 0.2544 0.3278
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Schistosoma mansoni neuropeptide f receptor 76f 0.0037 0.0546 0.0546
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0037 0.0546 0.187
Brugia malayi RE15519p 0.0037 0.0546 0.187
Echinococcus multilocularis neuropeptide s receptor 0.0037 0.0546 0.187
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.0324 0.1274
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Leishmania major trypanothione reductase 0.009 0.2544 0.8721
Schistosoma mansoni biogenic amine receptor 0.0037 0.0546 0.0546
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0031 0.0324 0.1111
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.2917 1
Brugia malayi follicle stimulating hormone receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0037 0.0546 0.187
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.0324 0.1111
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.0324 0.1111
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0037 0.0546 0.187
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2917 1
Echinococcus multilocularis allatostatin A receptor 0.0037 0.0546 0.187
Echinococcus granulosus g protein coupled receptor 0.0037 0.0546 0.187
Schistosoma mansoni amine GPCR 0.0037 0.0546 0.0546
Echinococcus granulosus g protein coupled receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) G-protein coupled receptor 0.0037 0.0546 0.187
Schistosoma mansoni hypothetical protein 0.0037 0.0546 0.0546
Echinococcus granulosus G protein coupled receptor 139 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Schistosoma mansoni neuropeptide receptor 0.0037 0.0546 0.0546
Echinococcus granulosus tm gpcr rhodopsin 0.0037 0.0546 0.187
Schistosoma mansoni opsin-like receptor 0.0037 0.0546 0.0546
Echinococcus granulosus neuropeptide FF receptor 2 0.0037 0.0546 0.187
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0037 0.0546 0.187
Brugia malayi putative neuropeptide receptor NPR1 0.0037 0.0546 0.187
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2917 1
Echinococcus multilocularis serotonin receptor 0.0037 0.0546 0.187
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0031 0.0324 0.0418
Schistosoma mansoni amine GPCR 0.0037 0.0546 0.0546
Echinococcus granulosus orexin receptor type 2 0.0037 0.0546 0.187
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0037 0.0546 0.0546
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.0324 0.1111
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0324 0.1111
Brugia malayi Thioredoxin reductase 0.009 0.2544 0.8721
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Trichomonas vaginalis CAMK family protein kinase 0.005 0.1013 0.3474
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2917 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Brugia malayi larval opioid receptor 0.0037 0.0546 0.187
Echinococcus multilocularis neuropeptide receptor A26 0.0037 0.0546 0.187
Echinococcus multilocularis neuropeptides capa receptor 0.0037 0.0546 0.187
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0037 0.0546 0.187
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0324 0.1111
Echinococcus granulosus neuropeptide receptor 0.0037 0.0546 0.187
Echinococcus granulosus tm gpcr rhodopsin 0.0037 0.0546 0.187
Brugia malayi Serotonin receptor 0.0037 0.0546 0.187
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0031 0.0324 0.1111
Plasmodium falciparum glutathione reductase 0.0031 0.0324 0.1274
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.0546 0.187
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0324 0.1111
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.0324 0.1111
Plasmodium vivax glutathione reductase, putative 0.009 0.2544 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus multilocularis neuropeptide Y receptor 0.0037 0.0546 0.187
Echinococcus granulosus neuropeptides capa receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Brugia malayi Tachykinin-like peptides receptor 99D 0.0037 0.0546 0.187
Brugia malayi Dopamine receptor protein 2 0.0037 0.0546 0.187
Brugia malayi AKH receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) neuropeptide F receptor 0.0037 0.0546 0.187
Schistosoma mansoni hypothetical protein 0.0037 0.0546 0.0546
Toxoplasma gondii thioredoxin reductase 0.009 0.2544 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Brugia malayi GnHR receptor homolog 0.0037 0.0546 0.187
Echinococcus multilocularis g protein coupled receptor 0.0037 0.0546 0.187
Echinococcus multilocularis neuropeptides capa receptor 0.0037 0.0546 0.187
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.0546 0.187
Schistosoma mansoni myosin xvIII 0.0037 0.0546 0.0546
Echinococcus multilocularis neuropeptide receptor 0.0037 0.0546 0.187
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0037 0.0546 0.187
Echinococcus multilocularis neuropeptide receptor 0.0037 0.0546 0.187
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.2917 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0037 0.0546 0.187
Echinococcus granulosus neuropeptide receptor 0.0037 0.0546 0.187
Echinococcus granulosus peptide allatostatin:somatostatin 0.0037 0.0546 0.187
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0037 0.0546 0.187
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.2917 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0037 0.0546 0.187
Echinococcus granulosus neuropeptide receptor A26 0.0037 0.0546 0.187
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.0546 0.187
Onchocerca volvulus Serine\/threonine kinase homolog 0.01 0.2917 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus multilocularis g-protein coupled receptor 0.0037 0.0546 0.187
Plasmodium falciparum thioredoxin reductase 0.009 0.2544 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0031 0.0324 1
Loa Loa (eye worm) thioredoxin reductase 0.009 0.2544 0.8721
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0324 0.1111
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0037 0.0546 0.187
Mycobacterium tuberculosis Probable oxidoreductase 0.0229 0.776 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.0546 0.187
Echinococcus multilocularis fmrfamide receptor 0.0037 0.0546 0.187
Brugia malayi Melatonin receptor type 1A 0.0037 0.0546 0.187
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0037 0.0546 0.187
Brugia malayi G protein-coupled receptor F59B2.13 0.0037 0.0546 0.187
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0037 0.0546 0.0546
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Schistosoma mansoni neuropeptide receptor 0.0037 0.0546 0.0546
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0037 0.0546 0.187
Plasmodium vivax thioredoxin reductase, putative 0.009 0.2544 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2917 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0037 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.0324 0.1274
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.2917 1
Treponema pallidum NADH oxidase 0.0031 0.0324 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus granulosus allatostatin A receptor 0.0037 0.0546 0.187
Echinococcus multilocularis neuropeptide Y receptor 0.0037 0.0546 0.187
Trypanosoma brucei trypanothione reductase 0.009 0.2544 0.8721
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Giardia lamblia NADH oxidase lateral transfer candidate 0.0031 0.0324 0.1111
Echinococcus multilocularis orexin receptor type 2 0.0037 0.0546 0.187
Echinococcus multilocularis G-protein coupled receptor, putative 0.0037 0.0546 0.187
Schistosoma mansoni amine GPCR 0.0037 0.0546 0.0546
Schistosoma mansoni biogenic amine (5HT) receptor 0.0037 0.0546 0.0546
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.0546 0.187
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0324 0.1111
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0037 0.0546 0.0546
Loa Loa (eye worm) G-protein coupled receptor 0.0037 0.0546 0.187
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0037 0.0546 0.0546
Echinococcus multilocularis sex peptide receptor 0.0037 0.0546 0.187
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0037 0.0546 0.187
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0037 0.0546 0.187
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0229 0.776 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.0546 0.0546
Schistosoma mansoni growth hormone secretagogue receptor 0.0037 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0324 0.1111
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.0546 0.187
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.2917 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0206 0.6895 0.8886
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0037 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.0546 0.187
Brugia malayi Dopamine receptor protein 1 0.0037 0.0546 0.187
Schistosoma mansoni serine/threonine protein kinase 0.01 0.2917 0.2917
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2917 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0037 0.0546 0.187
Brugia malayi G-protein coupled receptor 0.0037 0.0546 0.187
Brugia malayi putative neuropeptide receptor 0.0037 0.0546 0.187
Brugia malayi ORL1-like opioid receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0037 0.0546 0.187
Echinococcus multilocularis dro:myosuppressin receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) melatonin receptor type 1A 0.0037 0.0546 0.187
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0229 0.776 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0037 0.0546 0.0546
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2917 1
Schistosoma mansoni neuropeptide F-like receptor 0.0037 0.0546 0.0546
Echinococcus multilocularis G protein coupled receptor 139 0.0037 0.0546 0.187
Echinococcus multilocularis g protein coupled receptor 0.0037 0.0546 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Echinococcus multilocularis serotonin receptor 0.0037 0.0546 0.187
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0037 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.187
Trichomonas vaginalis mercuric reductase, putative 0.0031 0.0324 0.1111
Echinococcus granulosus 7tm_1 domain containing protein 0.0037 0.0546 0.187
Trichomonas vaginalis glutathione reductase, putative 0.0031 0.0324 0.1111
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0206 0.6895 0.8886
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.0546 0.187
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Echinococcus granulosus neuropeptide Y receptor 0.0037 0.0546 0.187
Schistosoma mansoni neuropeptide F-like receptor 0.0037 0.0546 0.0546
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.2917 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.0546 0.187
Schistosoma mansoni biogenic amine receptor 0.0037 0.0546 0.0546
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0037 0.0546 0.187
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0037 0.0546 0.187
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.0324 0.1274
Brugia malayi Serotonin receptor 0.0037 0.0546 0.187
Echinococcus granulosus neuropeptide Y receptor 0.0037 0.0546 0.187
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0324 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0037 0.0546 0.187
Trichomonas vaginalis CAMK family protein kinase 0.005 0.1013 0.3474
Schistosoma mansoni adenoreceptor 0.0037 0.0546 0.0546
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0206 0.6895 0.8886
Schistosoma mansoni opsin-like receptor 0.0037 0.0546 0.0546
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0037 0.0546 0.187
Schistosoma mansoni hypothetical protein 0.0037 0.0546 0.0546
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Echinococcus multilocularis thioredoxin glutathione reductase 0.0091 0.2564 0.879
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.0546 0.187
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0037 0.0546 0.187
Brugia malayi G protein-coupled receptor 0.0037 0.0546 0.187
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0324 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0037 0.0546 0.187
Echinococcus multilocularis somatostatin receptor 0.0037 0.0546 0.187
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.0324 0.1274
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.0546 0.0546
Brugia malayi hypothetical protein 0.0037 0.0546 0.187
Echinococcus granulosus g-protein coupled receptor 0.0037 0.0546 0.187

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0028 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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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