Detailed information for compound 227774

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 518.453 | Formula: C21H18N4O10S
  • H donors: 4 H acceptors: 10 LogP: -2.89 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)[C@H](Cc1c(C)onc1O)N.O=C1C=c2cc([N+](=O)[O-])c3c(c2=CC1=O)cccc3S(=O)(=O)N
  • InChi: 1S/C14H8N2O6S.C7H10N2O4/c15-23(21,22)13-3-1-2-8-9-6-12(18)11(17)5-7(9)4-10(14(8)13)16(19)20;1-3-4(6(10)9-13-3)2-5(8)7(11)12/h1-6H,(H2,15,21,22);5H,2,8H2,1H3,(H,9,10)(H,11,12)/t;5-/m.0/s1
  • InChiKey: TZJQGVAOJRKLOC-ZSCHJXSPSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Toxoplasma gondii exonuclease III APE 0.0019 0.0211 0.1395
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus multilocularis neuropeptide Y receptor 0.0038 0.0635 0.0585
Trichomonas vaginalis AGC family protein kinase 0.004 0.0681 0.048
Echinococcus granulosus G protein coupled receptor 139 0.0038 0.0635 0.0692
Brugia malayi MH1 domain containing protein 0.0015 0.013 0.0149
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Loa Loa (eye worm) hypothetical protein 0.0109 0.2205 0.2456
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0211 0.061
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0038 0.0635 0.0725
Echinococcus granulosus peptide allatostatin:somatostatin 0.0038 0.0635 0.0692
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0034 0.0541 0.0541
Echinococcus multilocularis G-protein coupled receptor, putative 0.0038 0.0635 0.0585
Schistosoma mansoni tar DNA-binding protein 0.0103 0.2083 0.2807
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0134 0.2762 0.3442
Loa Loa (eye worm) hypothetical protein 0.0034 0.0541 0.0541
Echinococcus multilocularis microtubule associated protein 2 0.0344 0.742 0.8452
Entamoeba histolytica hypothetical protein 0.0044 0.076 0.097
Plasmodium vivax SET domain protein, putative 0.0058 0.1078 1
Loa Loa (eye worm) AUR protein kinase 0.004 0.0681 0.0703
Brugia malayi neuropeptide F receptor 0.0038 0.0635 0.0725
Loa Loa (eye worm) AUR protein kinase 0.004 0.0681 0.0703
Plasmodium vivax serine/threonine protein kinase 6, putative 0.004 0.0681 0.6062
Brugia malayi hypothetical protein 0.0044 0.076 0.0868
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0038 0.0635 0.0856
Schistosoma mansoni biogenic amine receptor 0.0038 0.0635 0.0856
Schistosoma mansoni d-amino acid oxidase 0.0109 0.2205 0.2971
Echinococcus granulosus beta LACTamase domain containing family member 0.0034 0.0541 0.0563
Schistosoma mansoni adenoreceptor 0.0038 0.0635 0.0856
Echinococcus granulosus histone lysine methyltransferase setb 0.0058 0.1078 0.1301
Echinococcus granulosus serine:threonine protein kinase 12 B 0.004 0.0681 0.0756
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Mycobacterium ulcerans hypothetical protein 0.0034 0.0541 0.0486
Schistosoma mansoni jumonji/arid domain-containing protein 0.0027 0.0387 0.0522
Schistosoma mansoni biogenic amine (5HT) receptor 0.0038 0.0635 0.0856
Echinococcus granulosus g-protein coupled receptor 0.0038 0.0635 0.0692
Loa Loa (eye worm) hypothetical protein 0.0034 0.0541 0.0541
Onchocerca volvulus 0.0038 0.0635 0.0362
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Trypanosoma cruzi aurora B kinase, putative 0.004 0.0681 1
Schistosoma mansoni hypothetical protein 0.0129 0.265 0.3571
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0405 0.8756 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0063 0.1181 0.1347
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0038 0.0635 0.0692
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0038 0.0635 0.0585
Brugia malayi MH2 domain containing protein 0.0224 0.4757 0.543
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0635 0.0692
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Loa Loa (eye worm) transcription factor SMAD2 0.0224 0.4757 0.5393
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus granulosus alpha 1A adrenergic receptor 0.0038 0.0635 0.0692
Onchocerca volvulus 0.0038 0.0635 0.0362
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.004 0.0681 0.0831
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0211 0.0241
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0274 0.5873 0.5783
Trichomonas vaginalis D-aminoacylase, putative 0.0034 0.0541 0.0337
Brugia malayi glutaminase DH11.1 0.0208 0.4403 0.5025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0063 0.1181 0.1441
Echinococcus granulosus neuropeptides capa receptor 0.0038 0.0635 0.0692
Brugia malayi TAR-binding protein 0.0103 0.2083 0.2378
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0635 0.0692
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0063 0.1181 0.1591
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0211 0.0111
Loa Loa (eye worm) AUR protein kinase 0.004 0.0681 0.0703
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0211 0.061
Schistosoma mansoni biogenic amine (5HT) receptor 0.0038 0.0635 0.0856
Brugia malayi Melatonin receptor type 1A 0.0038 0.0635 0.0725
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0635 0.0692
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0034 0.0541 0.0618
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0274 0.5873 0.5783
Schistosoma mansoni histamine h1 receptor 0.0038 0.0635 0.0856
Schistosoma mansoni neuropeptide receptor 0.0038 0.0635 0.0856
Echinococcus granulosus g protein coupled receptor 0.0038 0.0635 0.0692
Leishmania major protein kinase, putative 0.004 0.0681 0.2653
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0038 0.0635 0.0649
Echinococcus multilocularis neuropeptide s receptor 0.0038 0.0635 0.0585
Brugia malayi AKH receptor 0.0038 0.0635 0.0725
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.1031 0.1236
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0058 0.1078 0.1453
Mycobacterium ulcerans beta-lactamase 0.0034 0.0541 0.0486
Schistosoma mansoni hypothetical protein 0.0129 0.265 0.3571
Giardia lamblia Aurora kinase 0.004 0.0681 0.0831
Mycobacterium ulcerans isopentenyl pyrophosphate isomerase 0.0117 0.2373 0.3187
Entamoeba histolytica protein kinase, putative 0.004 0.0681 0.0831
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0635 0.0585
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0635 0.0856
Loa Loa (eye worm) hypothetical protein 0.0034 0.0541 0.0541
Brugia malayi sulfakinin receptor protein 0.0038 0.0635 0.0725
Echinococcus multilocularis allatostatin A receptor 0.0038 0.0635 0.0585
Echinococcus granulosus somatostatin receptor 0.0038 0.0635 0.0692
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus granulosus neuropeptide Y receptor 0.0038 0.0635 0.0692
Echinococcus granulosus orexin receptor type 2 0.0038 0.0635 0.0692
Brugia malayi ORL1-like opioid receptor 0.0038 0.0635 0.0725
Brugia malayi Pre-SET motif family protein 0.0058 0.1078 0.1231
Loa Loa (eye worm) glutaminase 0.0208 0.4403 0.4985
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0635 0.0692
Brugia malayi Serotonin receptor 0.0038 0.0635 0.0725
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Mycobacterium tuberculosis Probable lipase LipE 0.0034 0.0541 0.0486
Schistosoma mansoni hypothetical protein 0.0044 0.076 0.1025
Plasmodium falciparum phd finger protein, putative 0.0022 0.0284 0.3488
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0038 0.0635 0.0692
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0038 0.0635 0.0856
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0274 0.5873 0.5783
Schistosoma mansoni alpha-1 adrenergic receptor 0.0038 0.0635 0.0856
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0274 0.5873 0.5783
Schistosoma mansoni neuropeptide F-like receptor 0.0038 0.0635 0.0856
Brugia malayi G-protein coupled receptor 0.0038 0.0635 0.0725
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0211 0.0162
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0038 0.0635 0.0856
Echinococcus multilocularis dro:myosuppressin receptor 0.0038 0.0635 0.0585
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0038 0.0635 0.0585
Echinococcus granulosus serotonin receptor 0.0038 0.0635 0.0692
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.004 0.0681 0.0639
Brugia malayi Dopamine receptor protein 2 0.0038 0.0635 0.0725
Trichomonas vaginalis D-aminoacylase, putative 0.0034 0.0541 0.0337
Toxoplasma gondii PHD-finger domain-containing protein 0.0022 0.0284 0.2114
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0038 0.0635 0.0585
Leishmania major hypothetical protein, conserved 0.0034 0.0541 0.2043
Mycobacterium ulcerans esterase/lipase LipP 0.0034 0.0541 0.0486
Trypanosoma brucei aurora B kinase 0.004 0.0681 0.2653
Schistosoma mansoni opsin-like receptor 0.0038 0.0635 0.0856
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0038 0.0635 0.0649
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0134 0.2762 0.3761
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0034 0.0541 0.0729
Brugia malayi hypothetical protein 0.0013 0.0071 0.0081
Brugia malayi Dopamine receptor protein 1 0.0038 0.0635 0.0725
Onchocerca volvulus Neuropeptide F receptor homolog 0.0038 0.0635 0.0362
Brugia malayi RNA binding protein 0.0103 0.2083 0.2378
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0038 0.0635 0.0692
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0103 0.2083 0.2316
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Brugia malayi MH1 domain containing protein 0.0015 0.013 0.0149
Mycobacterium tuberculosis Conserved protein 0.0034 0.0541 0.0486
Schistosoma mansoni hypothetical protein 0.0038 0.0635 0.0856
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Schistosoma mansoni neuropeptide receptor 0.0038 0.0635 0.0856
Echinococcus granulosus 7tm_1 domain containing protein 0.0038 0.0635 0.0692
Loa Loa (eye worm) Smad1 0.0015 0.013 0.0069
Echinococcus multilocularis neuropeptides capa receptor 0.0038 0.0635 0.0585
Echinococcus granulosus PHD finger protein rhinoceros 0.0022 0.0284 0.021
Echinococcus multilocularis orexin receptor type 2 0.0038 0.0635 0.0585
Onchocerca volvulus 0.0038 0.0635 0.0362
Brugia malayi PHD-finger family protein 0.0022 0.0284 0.0324
Onchocerca volvulus 0.0038 0.0635 0.0362
Onchocerca volvulus 0.0038 0.0635 0.0362
Echinococcus granulosus neuropeptide FF receptor 2 0.0038 0.0635 0.0692
Brugia malayi MH2 domain containing protein 0.0015 0.013 0.0149
Loa Loa (eye worm) MH2 domain-containing protein 0.0015 0.013 0.0069
Echinococcus multilocularis fmrfamide receptor 0.0038 0.0635 0.0585
Echinococcus multilocularis neuropeptide FF receptor 2 0.0038 0.0635 0.0585
Schistosoma mansoni neuropeptide F-like receptor 0.0038 0.0635 0.0856
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0211 0.0094
Schistosoma mansoni biogenic amine receptor 0.0038 0.0635 0.0856
Echinococcus granulosus 7TM GPCR rhodopsin 0.0038 0.0635 0.0692
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0034 0.0541 0.0486
Onchocerca volvulus 0.0038 0.0635 0.0362
Brugia malayi beta-lactamase family protein 0.0034 0.0541 0.0618
Schistosoma mansoni ap endonuclease 0.0019 0.0211 0.0285
Trichomonas vaginalis penicillin-binding protein, putative 0.0034 0.0541 0.0337
Treponema pallidum hypothetical protein 0.0325 0.6994 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0038 0.0635 0.0725
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus granulosus allatostatin A receptor 0.0038 0.0635 0.0692
Entamoeba histolytica protein kinase, putative 0.004 0.0681 0.0831
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0274 0.5873 0.5783
Mycobacterium ulcerans L-lactate dehydrogenase (cytochrome) LldD1 0.0117 0.2373 0.3187
Brugia malayi Dopamine receptor 0.0038 0.0635 0.0725
Loa Loa (eye worm) hypothetical protein 0.0034 0.0541 0.0541
Entamoeba histolytica isopentenyl-diphosphate delta-isomerase, putative 0.0117 0.2373 0.3819
Trichomonas vaginalis AGC family protein kinase 0.004 0.0681 0.048
Entamoeba histolytica protein kinase domain containing protein 0.004 0.0681 0.0831
Echinococcus multilocularis g-protein coupled receptor 0.0038 0.0635 0.0585
Loa Loa (eye worm) melatonin receptor type 1A 0.0038 0.0635 0.0649
Onchocerca volvulus 0.0038 0.0635 0.0362
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0635 0.0856
Echinococcus multilocularis PHD finger protein rhinoceros 0.0022 0.0284 0.0178
Schistosoma mansoni Smad4 0.0015 0.013 0.0176
Echinococcus multilocularis lysine specific demethylase 5A 0.0027 0.0387 0.0298
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Onchocerca volvulus 0.0038 0.0635 0.0362
Echinococcus granulosus neuropeptides capa receptor 0.0038 0.0635 0.0692
Schistosoma mansoni tar DNA-binding protein 0.0103 0.2083 0.2807
Schistosoma mansoni tar DNA-binding protein 0.0103 0.2083 0.2807
Trypanosoma brucei isopentenyl-diphosphate delta-isomerase (type II) 0.0117 0.2373 1
Schistosoma mansoni smad1 5 8 and 0.0015 0.013 0.0176
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0635 0.0585
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0038 0.0635 0.0649
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0635 0.0856
Mycobacterium tuberculosis Probable lipase LipD 0.0034 0.0541 0.0486
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0635 0.0585
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0635 0.0585
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0034 0.0541 0.0486
Schistosoma mansoni jumonji/arid domain-containing protein 0.0027 0.0387 0.0522
Mycobacterium leprae POSSIBLE L-LACTATE DEHYDROGENASE (CYTOCHROME) LLDD2 0.0325 0.6994 1
Echinococcus multilocularis G protein coupled receptor 139 0.0038 0.0635 0.0585
Mycobacterium ulcerans L-lactate dehydrogenase (cytochrome) LldD2 0.0325 0.6994 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0038 0.0635 0.0856
Brugia malayi Pre-SET motif family protein 0.0405 0.8761 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0635 0.0856
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0038 0.0635 0.0585
Schistosoma mansoni glutaminase 0.0208 0.4403 0.5933
Schistosoma mansoni biogenic amine receptor 0.0038 0.0635 0.0856
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.004 0.0681 0.0831
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0038 0.0635 0.0585
Schistosoma mansoni hypothetical protein 0.0038 0.0635 0.0856
Loa Loa (eye worm) hypothetical protein 0.0034 0.0541 0.0541
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0211 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus multilocularis neuropeptide receptor A26 0.0038 0.0635 0.0585
Loa Loa (eye worm) G-protein coupled receptor 0.0038 0.0635 0.0649
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Loa Loa (eye worm) MH1 domain-containing protein 0.0015 0.013 0.0069
Schistosoma mansoni tar DNA-binding protein 0.0103 0.2083 0.2807
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0038 0.0635 0.0649
Echinococcus granulosus g protein coupled receptor 0.0038 0.0635 0.0692
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Schistosoma mansoni hypothetical protein 0.0038 0.0635 0.0856
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus multilocularis geminin 0.0129 0.265 0.2921
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0022 0.0284 0.0382
Toxoplasma gondii aurora kinase 0.004 0.0681 0.6062
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0044 0.076 0.0731
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0635 0.0585
Onchocerca volvulus 0.0038 0.0635 0.0362
Onchocerca volvulus 0.0058 0.1078 0.0818
Loa Loa (eye worm) RNA binding protein 0.0103 0.2083 0.2316
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0387 0.0364
Brugia malayi putative neuropeptide receptor 0.0038 0.0635 0.0725
Toxoplasma gondii ABC1 family protein 0.0034 0.0541 0.4668
Schistosoma mansoni amine GPCR 0.0038 0.0635 0.0856
Schistosoma mansoni opsin-like receptor 0.0038 0.0635 0.0856
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Loa Loa (eye worm) MH2 domain-containing protein 0.0224 0.4757 0.5393
Loa Loa (eye worm) hypothetical protein 0.0058 0.1078 0.116
Brugia malayi RE15519p 0.0038 0.0635 0.0725
Entamoeba histolytica protein kinase , putative 0.004 0.0681 0.0831
Echinococcus granulosus jumonji domain containing protein 0.0031 0.0476 0.0475
Onchocerca volvulus 0.0038 0.0635 0.0362
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0635 0.0692
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0635 0.0585
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Schistosoma mansoni growth hormone secretagogue receptor 0.0038 0.0635 0.0856
Schistosoma mansoni ap endonuclease 0.0019 0.0211 0.0285
Echinococcus granulosus biogenic amine 5HT receptor 0.0038 0.0635 0.0692
Brugia malayi Bromodomain containing protein 0.0022 0.0284 0.0324
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0284 0.2114
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.01 0.2003 0.2642
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Brugia malayi beta-lactamase family protein 0.0034 0.0541 0.0618
Echinococcus granulosus neuropeptide receptor 0.0038 0.0635 0.0692
Echinococcus multilocularis neuropeptide receptor 0.0038 0.0635 0.0585
Schistosoma mansoni amine GPCR 0.0038 0.0635 0.0856
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.1078 0.1453
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Loa Loa (eye worm) hypothetical protein 0.0022 0.0284 0.0245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0063 0.1181 0.1218
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Brugia malayi serine/threonine-protein kinase 6 0.004 0.0681 0.0778
Toxoplasma gondii PHD-finger domain-containing protein 0.0022 0.0284 0.2114
Onchocerca volvulus 0.0038 0.0635 0.0362
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0038 0.0635 0.0585
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0134 0.2762 0.3761
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0038 0.0635 0.0692
Trichomonas vaginalis glutaminase, putative 0.0208 0.4403 0.4282
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0274 0.5873 0.5783
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0211 0.2301
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0635 0.0585
Schistosoma mansoni smad1 5 8 and 0.0015 0.013 0.0176
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Schistosoma mansoni neuropeptide receptor 0.0038 0.0635 0.0856
Schistosoma mansoni amine GPCR 0.0038 0.0635 0.0856
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Mycobacterium ulcerans glutaminase 0.0208 0.4403 0.6179
Mycobacterium ulcerans lipase LipD 0.0034 0.0541 0.0486
Schistosoma mansoni smad1 5 8 and 0.0015 0.013 0.0176
Trichomonas vaginalis set domain proteins, putative 0.0461 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0034 0.0541 0.0486
Trichomonas vaginalis AGC family protein kinase 0.004 0.0681 0.048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0063 0.1181 0.1591
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0063 0.1181 0.1218
Echinococcus multilocularis fmrfamide receptor 0.0038 0.0635 0.0585
Echinococcus granulosus sex peptide receptor 0.0038 0.0635 0.0692
Echinococcus granulosus neuropeptide receptor 0.0038 0.0635 0.0692
Loa Loa (eye worm) TYRA-2 protein 0.0038 0.0635 0.0649
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0211 0.2301
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0284 0.0245
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus multilocularis neuropeptide receptor 0.0038 0.0635 0.0585
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0015 0.013 0.0176
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0635 0.0856
Loa Loa (eye worm) beta-lactamase 0.0034 0.0541 0.0541
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0274 0.5873 0.5783
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0038 0.0635 0.0585
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0635 0.0692
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0211 0.1395
Trypanosoma brucei hypothetical protein, conserved 0.0034 0.0541 0.2043
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0109 0.2205 0.2578
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0038 0.0635 0.0692
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0038 0.0635 0.0856
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0034 0.0541 0.0729
Loa Loa (eye worm) neuropeptide F receptor 0.0038 0.0635 0.0649
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0274 0.5873 1
Onchocerca volvulus 0.0038 0.0635 0.0362
Brugia malayi larval opioid receptor 0.0038 0.0635 0.0725
Onchocerca volvulus 0.0038 0.0635 0.0362
Echinococcus multilocularis sex peptide receptor 0.0038 0.0635 0.0585
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0211 0.2301
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0038 0.0635 0.0856
Schistosoma mansoni myosin xvIII 0.0038 0.0635 0.0856
Brugia malayi neuropeptide F receptor 0.0038 0.0635 0.0725
Brugia malayi serine/threonine protein kinase 6 0.004 0.0681 0.0778
Schistosoma mansoni jumonji domain containing protein 0.0058 0.1071 0.1444
Echinococcus granulosus dro:myosuppressin receptor 0.0038 0.0635 0.0692
Echinococcus multilocularis serotonin receptor 0.0038 0.0635 0.0585
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus multilocularis tar DNA binding protein 0.0103 0.2083 0.2264
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0073 0.1402 0.1745
Echinococcus granulosus tar DNA binding protein 0.0103 0.2083 0.2679
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus granulosus neuropeptide s receptor 0.0038 0.0635 0.0692
Echinococcus multilocularis somatostatin receptor 0.0038 0.0635 0.0585
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Brugia malayi Tachykinin-like peptides receptor 99D 0.0038 0.0635 0.0725
Echinococcus granulosus lysine specific demethylase 5A 0.0027 0.0387 0.0352
Brugia malayi beta-lactamase 0.0034 0.0541 0.0618
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0038 0.0635 0.0725
Echinococcus multilocularis beta LACTamase domain containing family member 0.0034 0.0541 0.0476
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0541 0.77
Giardia lamblia PHD finger protein 15 0.0022 0.0284 0.0128
Schistosoma mansoni amine GPCR 0.0038 0.0635 0.0856
Trichomonas vaginalis D-aminoacylase, putative 0.0034 0.0541 0.0337
Echinococcus multilocularis serotonin receptor 0.0038 0.0635 0.0585
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0038 0.0635 0.0856
Loa Loa (eye worm) glutaminase 2 0.0208 0.4403 0.4985
Schistosoma mansoni hypothetical protein 0.0038 0.0635 0.0856
Brugia malayi GnHR receptor homolog 0.0038 0.0635 0.0725
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0063 0.1181 0.1277
Echinococcus granulosus biogenic amine 5HT receptor 0.0038 0.0635 0.0692
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0635 0.0856
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0635 0.0585
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0635 0.0585
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0038 0.0635 0.0856
Schistosoma mansoni neuropeptide receptor 0.0038 0.0635 0.0856
Brugia malayi jmjC domain containing protein 0.0073 0.1402 0.1601
Echinococcus granulosus geminin 0.0129 0.265 0.3456
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0635 0.0585
Echinococcus granulosus fmrfamide receptor 0.0038 0.0635 0.0692
Onchocerca volvulus 0.0038 0.0635 0.0362
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0058 0.1078 0.1099
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0274 0.5873 0.5783
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0635 0.0585
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0038 0.0635 0.0856
Loa Loa (eye worm) jmjC domain-containing protein 0.0046 0.0807 0.0848
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0216 0.4578 0.6437
Onchocerca volvulus 0.0038 0.0635 0.0362
Echinococcus granulosus aurora kinase A 0.004 0.0681 0.0756
Onchocerca volvulus 0.0034 0.0541 0.0265
Echinococcus multilocularis neuropeptide Y receptor 0.0038 0.0635 0.0585
Schistosoma mansoni hypothetical protein 0.0022 0.0284 0.0382
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Onchocerca volvulus 0.0038 0.0635 0.0362
Brugia malayi MH2 domain containing protein 0.0015 0.013 0.0149
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0038 0.0635 0.0725
Schistosoma mansoni microtubule-associated protein tau 0.0344 0.742 1
Echinococcus granulosus neuropeptide receptor A26 0.0038 0.0635 0.0692
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0635 0.0585
Trichomonas vaginalis penicillin-binding protein, putative 0.0034 0.0541 0.0337
Onchocerca volvulus 0.0034 0.0541 0.0265
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0635 0.0692
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.1078 0.1453
Brugia malayi follicle stimulating hormone receptor 0.0038 0.0635 0.0725
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0044 0.076 0.0864
Brugia malayi jmjC domain containing protein 0.0027 0.0387 0.0442
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0038 0.0635 0.0856
Leishmania major isopentenyl-diphosphate delta-isomerase, putative,isomerase, putative 0.0117 0.2373 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.004 0.0681 0.0831
Mycobacterium tuberculosis Probable hydrolase 0.0034 0.0541 0.0486
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0635 0.0692
Schistosoma mansoni transcription factor LCR-F1 0.0044 0.076 0.1025
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0635 0.0585
Mycobacterium tuberculosis Probable esterase LipL 0.0034 0.0541 0.0486
Onchocerca volvulus 0.0034 0.0541 0.0265
Onchocerca volvulus 0.0038 0.0635 0.0362
Echinococcus granulosus peregrin 0.0022 0.0284 0.021
Brugia malayi Serotonin receptor 0.0038 0.0635 0.0725
Schistosoma mansoni smad 0.0015 0.013 0.0176
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0034 0.0541 0.0486
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0063 0.1181 0.1591
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0635 0.0692
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0038 0.0635 0.0856
Loa Loa (eye worm) neuropeptide F receptor 0.0038 0.0635 0.0649
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Mycobacterium tuberculosis Conserved protein 0.0034 0.0541 0.0486
Brugia malayi G-protein coupled receptor 0.0038 0.0635 0.0725
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0274 0.5873 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0038 0.0635 0.0585
Mycobacterium tuberculosis Conserved protein 0.0034 0.0541 0.0486
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.1078 0.1453
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0038 0.0635 0.0856
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0635 0.0692
Echinococcus granulosus g protein coupled receptor 0.0038 0.0635 0.0692
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0038 0.0635 0.0856
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0038 0.0635 0.0692
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0063 0.1181 0.1441
Brugia malayi hypothetical protein 0.0038 0.0635 0.0725
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0073 0.1402 0.1475
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0038 0.0635 0.0649
Mycobacterium tuberculosis Possible L-lactate dehydrogenase (cytochrome) LldD2 0.0325 0.6994 1
Brugia malayi Smad1 0.0015 0.013 0.0149
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0038 0.0635 0.0585
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Echinococcus granulosus hypothetical protein 0.0038 0.0635 0.0692
Schistosoma mansoni neuropeptide f receptor 76f 0.0038 0.0635 0.0856
Brugia malayi serine/threonine kinase 12 0.004 0.0681 0.0778
Schistosoma mansoni tar DNA-binding protein 0.0103 0.2083 0.2807
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0635 0.0856
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0058 0.1078 0.1099
Echinococcus multilocularis jumonji domain containing protein 0.0031 0.0476 0.0401
Schistosoma mansoni serine/threonine protein kinase 0.004 0.0681 0.0918
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0058 0.1078 1
Brugia malayi putative neuropeptide receptor NPR1 0.0038 0.0635 0.0725
Loa Loa (eye worm) hypothetical protein 0.0034 0.0541 0.0541
Schistosoma mansoni protein kinase 0.004 0.0681 0.0918
Echinococcus multilocularis neuropeptides capa receptor 0.0038 0.0635 0.0585
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0038 0.0635 0.0585
Trichomonas vaginalis AGC family protein kinase 0.004 0.0681 0.048
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0635 0.0856
Giardia lamblia Fructose-bisphosphate aldolase 0.0274 0.5873 1
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0109 0.2205 0.2939
Loa Loa (eye worm) G-protein coupled receptor 0.0038 0.0635 0.0649
Schistosoma mansoni amine GPCR 0.0038 0.0635 0.0856
Echinococcus multilocularis peregrin 0.0022 0.0284 0.0178
Entamoeba histolytica hypothetical protein 0.0044 0.076 0.097
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0541 0.77
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Entamoeba histolytica hypothetical protein 0.0044 0.076 0.097
Brugia malayi RNA recognition motif domain containing protein 0.0103 0.2083 0.2378
Echinococcus granulosus tachykinin peptides receptor 99D 0.0038 0.0635 0.0692
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0038 0.0635 0.0725
Echinococcus granulosus microtubule associated protein 2 0.0344 0.742 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.004 0.0681 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0038 0.0635 0.0725
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0038 0.0635 0.0362
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0038 0.0635 0.0585
Trichomonas vaginalis esterase, putative 0.0034 0.0541 0.0337
Echinococcus multilocularis aurora kinase A 0.004 0.0681 0.0639
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0541 0.4668
Loa Loa (eye worm) TAR-binding protein 0.0103 0.2083 0.2316
Schistosoma mansoni opsin-like receptor 0.0038 0.0635 0.0856
Brugia malayi G protein-coupled receptor 0.0038 0.0635 0.0725
Echinococcus granulosus neuropeptide Y receptor 0.0038 0.0635 0.0692
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Entamoeba histolytica hypothetical protein 0.0044 0.076 0.097
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0635 0.0585
Loa Loa (eye worm) hypothetical protein 0.0038 0.0635 0.0649
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0635 0.0856
Treponema pallidum fructose-bisphosphate aldolase 0.0274 0.5873 0.8346
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0405 0.8761 1

Activities

Activity type Activity value Assay description Source Reference
CD50 (functional) = 6.7 nM mouse-1 Convulsant property on icv(intracervical) injection measured as tonus seizures in mouse. ChEMBL. 10514280
CD50 (functional) = 6.7 nM mouse-1 Convulsant property on icv(intracervical) injection measured as tonus seizures in mouse. ChEMBL. 10514280
CD50 (functional) = 15.7 nM mouse-1 Convulsant property on icv(intracervical) injection measured as clonus seizures in mouse. ChEMBL. 10514280
CD50 (functional) = 15.7 nM mouse-1 Convulsant property on icv(intracervical) injection measured as clonus seizures in mouse. ChEMBL. 10514280
Potency ratio (functional) = 5.4 The potency ratio is the ratio between the CD50 value of the drug in the presence of an antagonist versus its CD50 value. ChEMBL. 10514280

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

1 literature reference was collected for this gene.

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