Detailed information for compound 1727239

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.491 | Formula: C24H30O6
  • H donors: 1 H acceptors: 2 LogP: 4.69 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(ccc1OCC)C[C@H]1COC(=O)[C@@H]1Cc1ccc(c(c1)OCC)O
  • InChi: 1S/C24H30O6/c1-4-27-21-10-8-16(14-23(21)29-6-3)11-18-15-30-24(26)19(18)12-17-7-9-20(25)22(13-17)28-5-2/h7-10,13-14,18-19,25H,4-6,11-12,15H2,1-3H3/t18-,19+/m0/s1
  • InChiKey: SFUXRKFSLKHONT-RBUKOAKNSA-N  


Substructure search Similarity search

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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
Echinococcus granulosus g protein coupled receptor 0.0017 0.0014 0.001
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.034 0.4218 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0347 0.0601
Schistosoma mansoni histamine h1 receptor 0.0017 0.0014 0.001
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0446 0.3796
Echinococcus multilocularis neuropeptides capa receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.1158 0.2081
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0017 0.0014 0.001
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0017 0.0014 0.001
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Giardia lamblia O-linked GlcNAc transferase 0.0039 0.031 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0014 0.001
Plasmodium vivax orotidine 5'-phosphate decarboxylase, putative 0.0062 0.0607 0.1432
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0017 0.0014 0.001
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.1168 0.1165
Echinococcus multilocularis O glycosyltransferase 0.004 0.0316 0.0312
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0062 0.0607 0.0604
Loa Loa (eye worm) hypothetical protein 0.0042 0.0347 0.0601
Echinococcus granulosus tm gpcr rhodopsin 0.0017 0.0014 0.001
Echinococcus multilocularis neuropeptide receptor 0.0017 0.0014 0.001
Echinococcus granulosus neuropeptide receptor 0.0017 0.0014 0.001
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0105 0.1161 0.1564
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0347 0.2946
Echinococcus multilocularis dro:myosuppressin receptor 0.0017 0.0014 0.001
Echinococcus granulosus thymidylate synthase 0.0105 0.1161 0.1157
Echinococcus multilocularis tar DNA binding protein 0.0072 0.0734 0.073
Loa Loa (eye worm) hypothetical protein 0.0071 0.0717 0.1271
Schistosoma mansoni biogenic amine receptor 0.0017 0.0014 0.001
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.1168 1
Brugia malayi Serotonin receptor 0.0017 0.0014 0.0018
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0004 0.0005
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0014 0.001
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Schistosoma mansoni adenoreceptor 0.0017 0.0014 0.001
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.001
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0607 0.1432
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0347 0.0619
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.1168 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0017 0.0014 0.001
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0014 0.001
Entamoeba histolytica hypothetical protein 0.0083 0.0878 0.7104
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0168 0.0388
Brugia malayi sulfakinin receptor protein 0.0017 0.0014 0.0018
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0014 0.001
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0122 0.1384 0.1381
Schistosoma mansoni hypothetical protein 0.0083 0.0878 0.0875
Brugia malayi phosphofructokinase 0.0105 0.1168 0.21
Brugia malayi beta-lactamase family protein 0.0042 0.0347 0.0619
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0083 0.0878 0.0875
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0347 0.0619
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.1406
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0442 0.5549 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0014 0.001
Brugia malayi Tachykinin-like peptides receptor 99D 0.0017 0.0014 0.0018
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.1168 0.2763
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0607 0.1432
Schistosoma mansoni hypothetical protein 0.0018 0.003 0.0027
Echinococcus granulosus g protein coupled receptor 0.0017 0.0014 0.001
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.1168 0.21
Brugia malayi G protein-coupled receptor 0.0017 0.0014 0.0018
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0017 0.0014 0.001
Loa Loa (eye worm) dihydrofolate reductase 0.0442 0.5549 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0734 0.073
Brugia malayi 6-phosphofructokinase 0.0105 0.1168 0.21
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.034 0.4218 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0014 0.001
Schistosoma mansoni neuropeptide F-like receptor 0.0017 0.0014 0.001
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0014 0.001
Loa Loa (eye worm) UDP-N-acetylglucosamine-peptide N-acetylglucosaminyltransferase 0.004 0.0314 0.0542
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.1168 1
Brugia malayi follicle stimulating hormone receptor 0.0017 0.0014 0.0018
Echinococcus multilocularis serotonin receptor 0.0017 0.0014 0.001
Brugia malayi Serotonin receptor 0.0017 0.0014 0.0018
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0347 0.0814
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0017 0.0014 0.001
Echinococcus granulosus tar DNA binding protein 0.0072 0.0734 0.073
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Brugia malayi glutathione reductase 0.0046 0.0394 0.0703
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0017 0.0014 0.0018
Echinococcus multilocularis thymidylate synthase 0.0105 0.1161 0.1157
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.003 0.0027
Onchocerca volvulus 0.0105 0.1161 0.1609
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0017 0.0014 0.001
Onchocerca volvulus 0.0042 0.0347 0.0467
Toxoplasma gondii orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase 0.0062 0.0607 0.1432
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0017 0.0014 0.001
Echinococcus multilocularis g protein coupled receptor 0.0017 0.0014 0.001
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0017 0.0014 0.001
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0347 0.0619
Echinococcus granulosus tm gpcr rhodopsin 0.0017 0.0014 0.001
Chlamydia trachomatis dihydrofolate reductase 0.0442 0.5549 1
Brugia malayi Latrophilin receptor protein 2 0.0018 0.003 0.0048
Echinococcus multilocularis G protein coupled receptor 139 0.0017 0.0014 0.001
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0347 0.0619
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0017 0.0014 0.001
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0017 0.0014 0.001
Echinococcus granulosus O glycosyltransferase 0.004 0.0316 0.0312
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.001
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0017 0.0014 0.001
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0017 0.0014 0.001
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0017 0.0014 0.001
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0014 0.001
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0017 0.0014 0.0018
Brugia malayi putative neuropeptide receptor NPR1 0.0017 0.0014 0.0018
Leishmania major hypothetical protein, conserved 0.0042 0.0347 0.0814
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0017 0.0014 0.001
Brugia malayi beta-lactamase 0.0042 0.0347 0.0619
Loa Loa (eye worm) RNA binding protein 0.0072 0.0734 0.13
Schistosoma mansoni biogenic amine receptor 0.0017 0.0014 0.001
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.1168 0.1165
Mycobacterium ulcerans thymidylate synthase 0.0105 0.1161 0.2086
Leishmania major dihydrofolate reductase-thymidylate synthase 0.034 0.4218 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.1158 0.2081
Echinococcus granulosus peptide allatostatin:somatostatin 0.0017 0.0014 0.001
Echinococcus granulosus neuropeptide Y receptor 0.0017 0.0014 0.001
Echinococcus multilocularis serotonin receptor 0.0017 0.0014 0.001
Plasmodium vivax glutathione reductase, putative 0.0046 0.0394 0.0925
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0017 0.0014 0.001
Loa Loa (eye worm) glutathione reductase 0.0046 0.0394 0.0686
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Echinococcus granulosus orexin receptor type 2 0.0017 0.0014 0.001
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0017 0.0014 0.001
Schistosoma mansoni amine GPCR 0.0017 0.0014 0.001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0014 0.001
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0017 0.0014 0.001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0014 0.001
Echinococcus multilocularis allatostatin A receptor 0.0017 0.0014 0.001
Brugia malayi Dopamine receptor protein 1 0.0017 0.0014 0.0018
Schistosoma mansoni neuropeptide f receptor 76f 0.0017 0.0014 0.001
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0062 0.0607 0.1072
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0017 0.0014 0.001
Entamoeba histolytica hypothetical protein 0.0083 0.0878 0.7104
Brugia malayi 6-phosphofructokinase 0.0105 0.1168 0.21
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0014 0.001
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.1168 0.2763
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.1168 1
Echinococcus granulosus G protein coupled receptor 139 0.0017 0.0014 0.001
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.0734 0.13
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0017 0.0014 0.001
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0734 0.073
Schistosoma mansoni amine GPCR 0.0017 0.0014 0.001
Echinococcus granulosus neuropeptide Y receptor 0.0017 0.0014 0.001
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0347 0.0343
Brugia malayi hypothetical protein 0.0083 0.0878 0.1577
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.034 0.4218 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0301 0.0536
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.1406
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.001
Loa Loa (eye worm) hypothetical protein 0.0264 0.3227 0.5806
Brugia malayi AKH receptor 0.0017 0.0014 0.0018
Brugia malayi orotate phosphoribosyltransferase family protein 0.0062 0.0607 0.1088
Schistosoma mansoni o-linked n-acetylglucosamine transferase ogt 0.004 0.0316 0.0312
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0014 0.001
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0347 0.0619
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.1168 0.1165
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.1406
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0017 0.0014 0.001
Brugia malayi RNA binding protein 0.0072 0.0734 0.1316
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0347 0.0343
Schistosoma mansoni opsin-like receptor 0.0017 0.0014 0.001
Loa Loa (eye worm) hypothetical protein 0.0042 0.0347 0.0601
Brugia malayi thymidylate synthase 0.0105 0.1161 0.2086
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0028 0.0168 0.5346
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0168 0.0295
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0534 0.0956
Schistosoma mansoni biogenic amine (5HT) receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0105 0.1161 0.2086
Echinococcus granulosus neuropeptide s receptor 0.0017 0.0014 0.001
Schistosoma mansoni biogenic amine receptor 0.0017 0.0014 0.001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0014 0.001
Echinococcus granulosus tachykinin peptides receptor 99D 0.0017 0.0014 0.001
Schistosoma mansoni hypothetical protein 0.0018 0.003 0.0027
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0347 0.0619
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.1168 1
Brugia malayi Melatonin receptor type 1A 0.0017 0.0014 0.0018
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.1406
Brugia malayi G-protein coupled receptor 0.0017 0.0014 0.0018
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0394 0.0686
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.003 0.0027
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0014 0.001
Onchocerca volvulus 0.0042 0.0347 0.0467
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis Possible penicillin-binding protein 0.027 0.3309 0.5961
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Echinococcus granulosus serotonin receptor 0.0017 0.0014 0.001
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.1168 0.1579
Schistosoma mansoni neuropeptide receptor 0.0017 0.0014 0.001
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0017 0.0014 0.001
Echinococcus granulosus g protein coupled receptor 0.0017 0.0014 0.001
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0168 0.0295
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0014 0.001
Trichomonas vaginalis esterase, putative 0.0042 0.0347 0.2946
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0734 0.073
Echinococcus multilocularis neuropeptides capa receptor 0.0017 0.0014 0.001
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Loa Loa (eye worm) hypothetical protein 0.0042 0.0347 0.0601
Schistosoma mansoni alpha-1 adrenergic receptor 0.0017 0.0014 0.001
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.1168 1
Echinococcus granulosus dro:myosuppressin receptor 0.0017 0.0014 0.001
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Brugia malayi RE15519p 0.0017 0.0014 0.0018
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0017 0.0014 0.0018
Trypanosoma brucei trypanothione reductase 0.0046 0.0394 0.0925
Echinococcus multilocularis sex peptide receptor 0.0017 0.0014 0.001
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0017 0.0014 0.001
Wolbachia endosymbiont of Brugia malayi orotidine-5'-phosphate decarboxylase 0.0626 0.7948 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0014 0.001
Echinococcus multilocularis g protein coupled receptor 0.0017 0.0014 0.001
Echinococcus multilocularis fmrfamide receptor 0.0017 0.0014 0.001
Schistosoma mansoni growth hormone secretagogue receptor 0.0017 0.0014 0.001
Echinococcus granulosus biogenic amine 5HT receptor 0.0017 0.0014 0.001
Schistosoma mansoni neuropeptide F-like receptor 0.0017 0.0014 0.001
Schistosoma mansoni opsin-like receptor 0.0017 0.0014 0.001
Echinococcus granulosus hypothetical protein 0.0017 0.0014 0.001
Mycobacterium ulcerans beta-lactamase 0.0042 0.0347 0.0619
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0017 0.0014 0.001
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0028 0.0168 0.0388
Schistosoma mansoni amine GPCR 0.0017 0.0014 0.001
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1309 0.185
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.1168 1
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Brugia malayi GnHR receptor homolog 0.0017 0.0014 0.0018
Toxoplasma gondii thioredoxin reductase 0.0046 0.0394 0.0925
Brugia malayi TAR-binding protein 0.0072 0.0734 0.1316
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.1158 0.2081
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.1158 0.1558
Brugia malayi Thioredoxin reductase 0.0046 0.0394 0.0703
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0062 0.0607 0.0604
Schistosoma mansoni amine GPCR 0.0017 0.0014 0.001
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.1168 0.21
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0168 0.0388
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0014 0.001
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0347 0.0619
Entamoeba histolytica hypothetical protein 0.0083 0.0878 0.7104
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0105 0.1161 0.1157
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.1406
Schistosoma mansoni dihydrofolate reductase 0.0442 0.5549 0.5547
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0347 0.0814
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0347 0.0814
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0017 0.0014 0.0018
Loa Loa (eye worm) thymidylate synthase 0.0105 0.1161 0.2071
Echinococcus granulosus neuropeptide FF receptor 2 0.0017 0.0014 0.001
Brugia malayi hypothetical protein 0.0017 0.0014 0.0018
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0347 0.0619
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0004 0.0005
Echinococcus granulosus g-protein coupled receptor 0.0017 0.0014 0.001
Brugia malayi neuropeptide F receptor 0.0017 0.0014 0.0018
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.1168 1
Schistosoma mansoni myosin xvIII 0.0017 0.0014 0.001
Plasmodium falciparum glutathione reductase 0.0046 0.0394 0.0925
Schistosoma mansoni transcription factor LCR-F1 0.0083 0.0878 0.0875
Mycobacterium tuberculosis Conserved protein 0.0042 0.0347 0.0619
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0014 0.001
Echinococcus granulosus dihydrofolate reductase 0.0442 0.5549 0.5547
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0028 0.0168 0.1406
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0347 0.2946
Echinococcus multilocularis neuropeptide Y receptor 0.0017 0.0014 0.001
Toxoplasma gondii O-linked N-acetylglucosamine transferase 0.0039 0.031 0.0727
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0014 0.001
Echinococcus multilocularis somatostatin receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1309 0.2354
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0083 0.0878 0.0875
Plasmodium falciparum thioredoxin reductase 0.0046 0.0394 0.0925
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0347 0.0814
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1309 0.2354
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.1158 0.2081
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.1168 0.1165
Loa Loa (eye worm) hypothetical protein 0.0042 0.0347 0.0601
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0028 0.0168 0.1434
Echinococcus granulosus neuropeptides capa receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis Conserved protein 0.0042 0.0347 0.0619
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0017 0.0014 0.001
Mycobacterium ulcerans lipase LipD 0.0042 0.0347 0.0619
Echinococcus multilocularis rhodopsin orphan GPCR 0.0017 0.0014 0.001
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0394 0.039
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0607 0.1432
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0334 0.415 0.7477
Loa Loa (eye worm) TAR-binding protein 0.0072 0.0734 0.13
Onchocerca volvulus 0.0042 0.0347 0.0467
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0017 0.0014 0.001
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0347 0.2946
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.1168 0.2763
Loa Loa (eye worm) hypothetical protein 0.0039 0.0301 0.0519
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.003 0.0027
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.003
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0062 0.0607 0.1432
Mycobacterium tuberculosis Hypothetical protein 0.005 0.0446 0.0797
Brugia malayi neuropeptide F receptor 0.0017 0.0014 0.0018
Schistosoma mansoni neuropeptide receptor 0.0017 0.0014 0.001
Brugia malayi hypothetical protein 0.005 0.0446 0.0797
Mycobacterium ulcerans hypothetical protein 0.0042 0.0347 0.0619
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.0734 0.1316
Echinococcus granulosus sex peptide receptor 0.0017 0.0014 0.001
Echinococcus multilocularis neuropeptide receptor A26 0.0017 0.0014 0.001
Echinococcus granulosus allatostatin A receptor 0.0017 0.0014 0.001
Echinococcus multilocularis g protein coupled receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.1158 0.2081
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0347 0.0619
Plasmodium falciparum orotidine 5'-phosphate decarboxylase 0.0062 0.0607 0.1432
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0017 0.0014 0.001
Toxoplasma gondii 6-phosphofructokinase 0.0028 0.0168 0.0388
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0014 0.001
Schistosoma mansoni neuropeptide receptor 0.0017 0.0014 0.001
Echinococcus multilocularis fmrfamide receptor 0.0017 0.0014 0.001
Schistosoma mansoni hypothetical protein 0.0039 0.0301 0.0297
Brugia malayi ORL1-like opioid receptor 0.0017 0.0014 0.0018
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0347 0.0343
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0014 0.001
Echinococcus multilocularis neuropeptide s receptor 0.0017 0.0014 0.001
Echinococcus granulosus somatostatin receptor 0.0017 0.0014 0.001
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0734 0.073
Brugia malayi putative neuropeptide receptor 0.0017 0.0014 0.0018
Echinococcus multilocularis orexin receptor type 2 0.0017 0.0014 0.001
Brugia malayi Dopamine receptor 0.0017 0.0014 0.0018
Echinococcus multilocularis neuropeptide FF receptor 2 0.0017 0.0014 0.001
Brugia malayi Dopamine receptor protein 2 0.0017 0.0014 0.0018
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0017 0.0014 0.001
Mycobacterium tuberculosis Probable reductase 0.0105 0.1158 0.2081
Brugia malayi dihydrofolate reductase family protein 0.0442 0.5549 1
Brugia malayi UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 0.004 0.0314 0.0559
Echinococcus granulosus GPCR family 2 0.0018 0.003 0.0027
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0394 0.0925
Brugia malayi beta-lactamase family protein 0.0042 0.0347 0.0619
Echinococcus multilocularis neuropeptide Y receptor 0.0017 0.0014 0.001
Echinococcus multilocularis GPCR, family 2 0.0018 0.003 0.0027
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0017 0.0014 0.001
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0442 0.5549 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0017 0.0014 0.0018
Schistosoma mansoni opsin-like receptor 0.0017 0.0014 0.001
Echinococcus granulosus tm gpcr rhodopsin 0.0017 0.0014 0.001
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.034 0.4218 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0168 0.0388
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.003 0.0048
Entamoeba histolytica hypothetical protein 0.0083 0.0878 0.7104
Echinococcus granulosus 7tm_1 domain containing protein 0.0017 0.0014 0.001
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.0446 0.1049
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0168 0.1406
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0394 0.0925
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0347 0.2946
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0534 0.094
Leishmania major trypanothione reductase 0.0046 0.0394 0.0925
Treponema pallidum NADH oxidase 0.0016 0.0004 0.0033
Echinococcus granulosus neuropeptide receptor A26 0.0017 0.0014 0.001
Brugia malayi G-protein coupled receptor 0.0017 0.0014 0.0018
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0347 0.0343
Schistosoma mansoni amine GPCR 0.0017 0.0014 0.001
Loa Loa (eye worm) phosphofructokinase 0.0105 0.1168 0.2085
Toxoplasma gondii ABC1 family protein 0.0042 0.0347 0.0814
Echinococcus multilocularis g-protein coupled receptor 0.0017 0.0014 0.001
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0017 0.0014 0.001
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0017 0.0014 0.001
Brugia malayi larval opioid receptor 0.0017 0.0014 0.0018
Echinococcus granulosus 7TM GPCR rhodopsin 0.0017 0.0014 0.001
Loa Loa (eye worm) hypothetical protein 0.0042 0.0347 0.0601
Schistosoma mansoni hypothetical protein 0.0018 0.003 0.0027
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0347 0.0619
Echinococcus multilocularis G-protein coupled receptor, putative 0.0017 0.0014 0.001
Schistosoma mansoni hypothetical protein 0.0018 0.003 0.0027
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0062 0.0607 0.1432
Onchocerca volvulus 0.0564 0.7138 1
Mycobacterium leprae Probable orotidine 5'-phosphate decarboxylase PyrF (OMP decarboxylase) (OMPDCase) (OMPdecase) 0.0062 0.0607 0.0501
Loa Loa (eye worm) hypothetical protein 0.0057 0.0534 0.094
Echinococcus granulosus alpha 1A adrenergic receptor 0.0017 0.0014 0.001
Loa Loa (eye worm) hypothetical protein 0.0142 0.164 0.2938
Schistosoma mansoni neuropeptide receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis Conserved protein 0.0042 0.0347 0.0619
Toxoplasma gondii phosphofructokinase PFKII 0.0028 0.0168 0.0388
Echinococcus multilocularis dihydrofolate reductase 0.0442 0.5549 0.5547
Echinococcus granulosus neuropeptides capa receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1309 0.2354
Loa Loa (eye worm) beta-lactamase 0.0042 0.0347 0.0601
Schistosoma mansoni biogenic amine (5HT) receptor 0.0017 0.0014 0.001
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.003 0.0027
Giardia lamblia O-linked GlcNAc transferase 0.0023 0.0097 0.3055
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.003 0.003
Brugia malayi G protein-coupled receptor F59B2.13 0.0017 0.0014 0.0018
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.1168 0.2085
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0534 0.0956
Echinococcus granulosus rhodopsin orphan GPCR 0.0017 0.0014 0.001
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0734 0.073
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0442 0.5549 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.034 0.4218 1
Echinococcus multilocularis neuropeptide receptor 0.0017 0.0014 0.001
Echinococcus granulosus fmrfamide receptor 0.0017 0.0014 0.001
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0347 0.0601
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.1168 0.2085
Echinococcus granulosus biogenic amine 5HT receptor 0.0017 0.0014 0.001
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0394 0.0703
Echinococcus granulosus neuropeptide receptor 0.0017 0.0014 0.001
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0394 0.039
Brugia malayi Dihydrofolate reductase 0.0442 0.5549 1
Mycobacterium ulcerans orotidine 5'-phosphate decarboxylase 0.0062 0.0607 0.1088
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0168 0.0388
Echinococcus granulosus uridine 5' monophosphate synthase 0.0062 0.0607 0.0604
Schistosoma mansoni hypothetical protein 0.0017 0.0014 0.001
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0347 0.2946

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in human Capan1 cells injected BALB/cAJcl-nu-nu mouse assessed as body weight at 50 ug for 6 days in a week upto 28th days treatment started on 15th day tumor injection ChEMBL. 23287053
Activity (ADMET) Toxicity in human Capan1 cells injected BALB/cAJcl-nu-nu mouse assessed as behavior at 50 ug for 6 days in a week upto 28th days treatment started on 15th day tumor injection ChEMBL. 23287053
PC50 (functional) = 0.78 uM Cytotoxicity against human PANC1 cells assessed as cell viability after 3 hrs by WST-8 cells ChEMBL. 23287053

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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