Detailed information for compound 1068333

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.39 | Formula: C19H22N2O3
  • H donors: 0 H acceptors: 2 LogP: 3.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cccc(c1)COc1cccc(c1)CN1CCCCC1
  • InChi: 1S/C19H22N2O3/c22-21(23)18-8-4-7-17(12-18)15-24-19-9-5-6-16(13-19)14-20-10-2-1-3-11-20/h4-9,12-13H,1-3,10-11,14-15H2
  • InChiKey: QIMPSTNHQJHGRX-UHFFFAOYSA-N  


Substructure search Similarity search

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
Leishmania major dihydroorotate dehydrogenase 0.024 0.2401 1
Brugia malayi jmjC domain containing protein 0.0055 0.0432 0.0515
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0329 0.137
Loa Loa (eye worm) hypothetical protein 0.0021 0.0071 0.0083
Schistosoma mansoni smad1 5 8 and 0.0036 0.0225 0.0423
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.1443 0.1725
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0071 0.0357
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0002 0.0004
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0071 0.0134
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0055 0.0432 0.043
Echinococcus multilocularis tumor protein p63 0.0232 0.2324 0.2323
Mycobacterium tuberculosis Conserved protein 0.004 0.0271 0.0261
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0256 0.1065
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0271 0.0261
Loa Loa (eye worm) hypothetical protein 0.0098 0.0887 0.1058
Echinococcus granulosus lamin 0.0027 0.0133 0.0157
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0496 0.2064
Echinococcus multilocularis muscleblind protein 1 0.0509 0.5274 0.5274
Toxoplasma gondii ABC1 family protein 0.004 0.0271 0.113
Echinococcus granulosus muscleblind protein 0.0509 0.5274 0.6308
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0271 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0071 0.0083
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0071 0.0083
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0071 0.0134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0071 0.0083
Echinococcus multilocularis mothers against decapentaplegic 2 0.0016 0.0015 0.0013
Mycobacterium leprae conserved hypothetical protein 0.0027 0.0138 0.0042
Loa Loa (eye worm) hypothetical protein 0.0021 0.0071 0.0083
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0116
Brugia malayi hypothetical protein 0.0033 0.0201 0.0238
Mycobacterium ulcerans hypothetical protein 0.0116 0.1085 0.1113
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0396 0.1644
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0099 0.0406
Schistosoma mansoni cellular tumor antigen P53 0.0034 0.0208 0.0392
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0099 0.0068
Schistosoma mansoni smad 0.0036 0.0225 0.0423
Schistosoma mansoni hypothetical protein 0.0163 0.1582 0.2976
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0094 0.0843 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0099 0.0068
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0937 0.1762
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.0573 0.5408
Onchocerca volvulus 0.0163 0.1582 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.0322
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0496 0.0932
Loa Loa (eye worm) hypothetical protein 0.002 0.0055 0.0064
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0496 0.0488
Leishmania major hypothetical protein, conserved 0.004 0.0271 0.1123
Schistosoma mansoni Smad4 0.0016 0.0015 0.0029
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0396 0.1644
Schistosoma mansoni alpha-glucosidase 0.0149 0.1436 0.2701
Mycobacterium ulcerans hypothetical protein 0.0024 0.0099 0.0068
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0396 0.1651
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0271 0.0266
Brugia malayi hypothetical protein 0.0051 0.0391 0.0466
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0071 0.0069
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0256 0.0303
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.024 0.2401 1
Brugia malayi hypothetical protein 0.0798 0.8361 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0071 0.0083
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0271 0.0322
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0071 0.0083
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.0937 0.0935
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.024 0.2401 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0035 0.0011
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0093 0.0091
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0256 0.0235
Brugia malayi follicle stimulating hormone receptor 0.0172 0.1682 0.201
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0496 0.0494
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0099 0.0068
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0027 0.0138 0.0576
Leishmania major hypothetical protein, conserved 0.0052 0.0396 0.1644
Brugia malayi MH1 domain containing protein 0.002 0.0055 0.0064
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0099 0.0116
Onchocerca volvulus 0.0024 0.0099 0.0537
Brugia malayi nuclear hormone receptor 0.0021 0.0071 0.0083
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0071 0.0083
Brugia malayi RNA recognition motif domain containing protein 0.0092 0.0823 0.0982
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1315 0.1571
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.024 0.2401 0.2456
Trichomonas vaginalis esterase, putative 0.004 0.0271 0.0266
Mycobacterium ulcerans lipase LipD 0.004 0.0271 0.025
Loa Loa (eye worm) hypothetical protein 0.0509 0.5274 0.6308
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.0322
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0496 0.059
Brugia malayi steroid hormone receptor 0.0021 0.0071 0.0083
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.0322
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.1187 0.1185
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0329 0.0391
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0071 0.0083
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0271 0.0266
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0099 0.0079
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0271 0.0261
Toxoplasma gondii melibiase subfamily protein 0.0102 0.0937 0.3903
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0071 0.0069
Schistosoma mansoni alpha-glucosidase 0.0149 0.1436 0.2701
Entamoeba histolytica hypothetical protein 0.0051 0.0391 0.3922
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0573 0.1078
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.024 0.2401 0.2516
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0094 0.0843 0.3507
Loa Loa (eye worm) hypothetical protein 0.0021 0.0071 0.0083
Echinococcus multilocularis microtubule associated protein 2 0.0513 0.5317 0.5316
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0116
Schistosoma mansoni hypothetical protein 0.0502 0.52 0.9779
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0071 0.0083
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.0322
Brugia malayi Muscleblind-like protein 0.0509 0.5274 0.6308
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0092 0.0823 0.0982
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0329 0.137
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0271 0.0261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1315 0.2474
Brugia malayi beta-lactamase 0.004 0.0271 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0071 0.0083
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0071 0.0069
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0496 0.0488
Treponema pallidum licC protein (licC) 0.0116 0.1085 1
Entamoeba histolytica hypothetical protein 0.0051 0.0391 0.3922
Echinococcus granulosus mothers against decapentaplegic 2 0.0016 0.0015 0.0016
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0256 0.1061
Brugia malayi intermediate filament protein 0.0027 0.0133 0.0157
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0496 0.0932
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0116
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1315 0.2474
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0256 0.0304
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0071 0.0069
Echinococcus multilocularis thyroid hormone receptor alpha 0.0147 0.1413 0.1411
Schistosoma mansoni tar DNA-binding protein 0.0092 0.0823 0.1548
Brugia malayi MH2 domain containing protein 0.0036 0.0225 0.0267
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0271 0.025
Schistosoma mansoni tar DNA-binding protein 0.0092 0.0823 0.1548
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0172 0.1682 0.201
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0937 0.1762
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0036 0.0225 0.0423
Schistosoma mansoni thyroid hormone receptor 0.0147 0.1413 0.2657
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0098 0.0887 0.1668
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.024 0.2401 1
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0396 0.1644
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0071 0.0083
Schistosoma mansoni transcription factor LCR-F1 0.0051 0.0391 0.0736
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0071 0.0083
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0094 0.0843 0.1006
Echinococcus granulosus lamin dm0 0.0027 0.0133 0.0157
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0116 0.1085 0.4519
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0289 1
Schistosoma mansoni coup transcription factor 0.0021 0.0071 0.0134
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0094 0.0843 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.1694 0.1692
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0133 0.0157
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0256 0.1057
Echinococcus granulosus lysine specific demethylase 5A 0.0055 0.0432 0.0515
Schistosoma mansoni tar DNA-binding protein 0.0092 0.0823 0.1548
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0094 0.0843 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0027 0.0138 0.0109
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.1315 0.1571
Echinococcus granulosus L aminoadipate semialdehyde 0.0098 0.0887 0.1058
Mycobacterium tuberculosis Conserved hypothetical protein 0.0116 0.1085 0.1123
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0015 0.0016
Brugia malayi hypothetical protein 0.0052 0.0396 0.0472
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0071 0.0069
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0071 0.0134
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1315 0.1313
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0138 0.0569
Echinococcus granulosus mothers against decapentaplegic 5 0.0036 0.0225 0.0267
Echinococcus multilocularis L aminoadipate semialdehyde 0.0098 0.0887 0.0885
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0256 0.1061
Schistosoma mansoni alpha glucosidase 0.0038 0.0256 0.0481
Schistosoma mansoni lamin 0.0027 0.0133 0.025
Leishmania major phosphopantetheinyl transferase-like protein 0.0027 0.0138 0.0569
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0256 0.1061
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0496 0.2058
Echinococcus multilocularis musashi 0.0027 0.0133 0.0131
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0071 0.0134
Entamoeba histolytica hypothetical protein 0.0027 0.0138 0.0525
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.0937 0.1119
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0071 0.0083
Loa Loa (eye worm) hypothetical protein 0.0018 0.0035 0.004
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0071 0.0134
Echinococcus granulosus tar DNA binding protein 0.0092 0.0823 0.0982
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0071 0.0357
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0271 0.0261
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0071 0.0083
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0256 0.0255
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0902 0.9468 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0071 0.0083
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0329 0.1363
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0256 0.0127
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0099 0.0068
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0256 0.1057
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0256 0.0304
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0329 0.1249
Echinococcus granulosus lysosomal alpha glucosidase 0.0173 0.1694 0.2024
Schistosoma mansoni lamin 0.0027 0.0133 0.025
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.0322
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0027 0.0138 0.012
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0256 0.2113
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0271 0.0322
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0271 0.0261
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0035 0.0138
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1315 0.1571
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0256 0.1057
Brugia malayi Smad1 0.0036 0.0225 0.0267
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.0902 0.9468 1
Schistosoma mansoni Smad4 0.0016 0.0015 0.0029
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0015 0.0016
Brugia malayi Zinc finger, C2H2 type family protein 0.0094 0.0843 0.1006
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0071 0.0083
Brugia malayi mothers against decapentaplegic homolog 3 0.0016 0.0015 0.0016
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0271 0.0261
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.2565 0.269
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0015 0.0002 0.0008
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0071 0.0083
Echinococcus multilocularis geminin 0.0502 0.52 0.5199
Echinococcus granulosus tumor protein p63 0.0232 0.2324 0.2778
Schistosoma mansoni intermediate filament proteins 0.0027 0.0133 0.025
Loa Loa (eye worm) hypothetical protein 0.0018 0.0035 0.004
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.024 0.2401 0.2869
Onchocerca volvulus 0.0098 0.0887 0.5561
Schistosoma mansoni Smad4 0.0036 0.0225 0.0423
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0071 0.0083
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0256 0.0304
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0071 0.0083
Schistosoma mansoni hypothetical protein 0.0502 0.52 0.9779
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0099 0.0068
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0094 0.0843 0.0841
Echinococcus granulosus survival motor neuron protein 1 0.0798 0.8361 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0094 0.0843 1
Onchocerca volvulus 0.0027 0.0133 0.0751
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0071 0.0069
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0173 0.1694 0.2024
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0027 0.0138 0.0109
Schistosoma mansoni jumonji domain containing protein 0.0055 0.0432 0.0813
Schistosoma mansoni dihydroorotate dehydrogenase 0.024 0.2401 0.4515
Schistosoma mansoni thyroid hormone receptor 0.0147 0.1413 0.2657
Toxoplasma gondii exonuclease III APE 0.0039 0.0256 0.1068
Echinococcus multilocularis lamin 0.0027 0.0133 0.0131
Echinococcus granulosus geminin 0.0502 0.52 0.6218
Loa Loa (eye worm) transcription factor SMAD2 0.0522 0.5417 0.6478
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0271 0.025
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0071 0.0083
Loa Loa (eye worm) MH2 domain-containing protein 0.0036 0.0225 0.0267
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0071 0.0357
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.024 0.2401 1
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0071 0.0134
Onchocerca volvulus 0.0027 0.0133 0.0751
Loa Loa (eye worm) Smad1 0.0036 0.0225 0.0267
Echinococcus granulosus TGF beta signal transducer SmadC 0.0036 0.0225 0.0267
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0271 0.0266
Echinococcus multilocularis survival motor neuron protein 1 0.0798 0.8361 0.8361
Mycobacterium leprae conserved hypothetical protein 0.004 0.0271 0.0183
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0071 0.0134
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.149 0.2801
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0071 0.0083
Loa Loa (eye worm) MH2 domain-containing protein 0.0522 0.5417 0.6478
Schistosoma mansoni ap endonuclease 0.0039 0.0256 0.0482
Loa Loa (eye worm) hypothetical protein 0.0027 0.0133 0.0157
Plasmodium falciparum dihydroorotate dehydrogenase 0.024 0.2401 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0071 0.0069
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0163 0.1582 0.1891
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0071 0.0083
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0071 0.0083
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.149 0.1488
Entamoeba histolytica hypothetical protein 0.0051 0.0391 0.3922
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0133 0.0157
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0138 0.0569
Echinococcus multilocularis smad 0.0036 0.0225 0.0223
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0027 0.0138 0.0576
Brugia malayi TAR-binding protein 0.0092 0.0823 0.0982
Mycobacterium tuberculosis Conserved hypothetical protein 0.0116 0.1085 0.1123
Mycobacterium ulcerans beta-lactamase 0.004 0.0271 0.025
Mycobacterium leprae Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0902 0.9468 1
Schistosoma mansoni smad1 5 8 and 0.0036 0.0225 0.0423
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0256 0.1061
Schistosoma mansoni smad1 5 8 and 0.0036 0.0225 0.0423
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0289 0.1195
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0937 0.1762
Echinococcus granulosus Smad4 0.0036 0.0225 0.0267
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0071 0.0069
Echinococcus multilocularis mothers against decapentaplegic 6 0.0016 0.0015 0.0013
Loa Loa (eye worm) hypothetical protein 0.0021 0.0071 0.0083
Schistosoma mansoni hypothetical protein 0.0023 0.0093 0.0174
Echinococcus multilocularis lamin dm0 0.0027 0.0133 0.0131
Loa Loa (eye worm) hypothetical protein 0.0068 0.0573 0.0684
Brugia malayi nuclear receptor NHR-88 0.0021 0.0071 0.0083
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0256 0.0303
Mycobacterium tuberculosis Conserved protein 0.004 0.0271 0.0261
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0329 0.1249
Brugia malayi MH1 domain containing protein 0.002 0.0055 0.0064
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0271 0.0266
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0271 0.1123
Brugia malayi MH1 domain containing protein 0.0036 0.0225 0.0267
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0071 0.0083
Echinococcus multilocularis mothers against decapentaplegic 5 0.0036 0.0225 0.0223
Plasmodium vivax hypothetical protein, conserved 0.004 0.0271 0.1123
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0271 0.051
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0271 0.0269
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0002 0.0004
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0099 0.0079
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.024 0.2401 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0256 0.1061
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0256 0.0245
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0071 0.0134
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0071 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0071 0.0083
Mycobacterium ulcerans hypothetical protein 0.0116 0.1085 0.1113
Schistosoma mansoni hypothetical protein 0.0126 0.1187 0.2232
Onchocerca volvulus 0.004 0.0271 0.1634
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0099 0.0406
Loa Loa (eye worm) beta-lactamase 0.004 0.0271 0.0322
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0036 0.0225 0.0223
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0271 0.1123
Brugia malayi MH2 domain containing protein 0.0016 0.0015 0.0016
Loa Loa (eye worm) hypothetical protein 0.0509 0.5274 0.6308
Echinococcus granulosus intermediate filament protein 0.0027 0.0133 0.0157
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0099 0.0068
Onchocerca volvulus 0.004 0.0271 0.1634
Echinococcus multilocularis lysine specific demethylase 5A 0.0055 0.0432 0.043
Schistosoma mansoni jumonji/arid domain-containing protein 0.0055 0.0432 0.0813
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0071 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0092 0.0823 0.1548
Brugia malayi Melibiase family protein 0.0068 0.0573 0.0684
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0002 0.0004
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0099 0.0116
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0027 0.0138 0.0569
Loa Loa (eye worm) hypothetical protein 0.0021 0.0071 0.0083
Echinococcus granulosus mothers against decapentaplegic 6 0.0016 0.0015 0.0016
Onchocerca volvulus 0.01 0.0914 0.5738
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0071 0.0083
Loa Loa (eye worm) hypothetical protein 0.0021 0.0071 0.0083
Loa Loa (eye worm) TAR-binding protein 0.0092 0.0823 0.0982
Echinococcus multilocularis Smad4 0.0036 0.0225 0.0223
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0256 0.1061
Loa Loa (eye worm) hypothetical protein 0.0026 0.0128 0.015
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0256 0.0254
Loa Loa (eye worm) hypothetical protein 0.0034 0.0208 0.0247
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0496 0.0498
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0051 0.0391 0.0466
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0094 0.0843 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0133 0.0157
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0071 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0071 0.0083
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0098 0.0887 0.1058
Loa Loa (eye worm) hypothetical protein 0.0018 0.0035 0.004
Schistosoma mansoni tar DNA-binding protein 0.0092 0.0823 0.1548
Loa Loa (eye worm) RNA binding protein 0.0092 0.0823 0.0982
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0256 0.0015
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0289 0.2546
Onchocerca volvulus 0.004 0.0271 0.1634
Brugia malayi jmjC domain containing protein 0.0055 0.0432 0.0515
Echinococcus multilocularis tar DNA binding protein 0.0092 0.0823 0.0821
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0396 0.1644
Brugia malayi beta-lactamase family protein 0.004 0.0271 0.0322
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0071 0.0134
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0071 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0071 0.0083
Echinococcus granulosus smad 0.0036 0.0225 0.0267
Brugia malayi MH2 domain containing protein 0.0522 0.5417 0.6478
Loa Loa (eye worm) hypothetical protein 0.0052 0.0396 0.0472
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0015 0.0002 0.0008
Schistosoma mansoni survival motor neuron protein 0.0163 0.1582 0.2976
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0271 0.0261
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0256 0.0303
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.024 0.2401 0.2508
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0271 0.051
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0071 0.0083
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0093 0.0108
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0099 0.0116
Loa Loa (eye worm) acetyltransferase 0.0154 0.149 0.178
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.0937 0.1762
Loa Loa (eye worm) hypothetical protein 0.0021 0.0071 0.0083
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0271 0.1123
Loa Loa (eye worm) hypothetical protein 0.0018 0.0035 0.004
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0256 0.2101
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.1187 0.1418
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0256 0.0015
Loa Loa (eye worm) hypothetical protein 0.0018 0.0035 0.004
Loa Loa (eye worm) hypothetical protein 0.0016 0.0015 0.0016
Loa Loa (eye worm) hypothetical protein 0.0021 0.0071 0.0083
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.024 0.2401 0.2425
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0396 0.1644
Onchocerca volvulus 0.0021 0.0071 0.0357
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0099 0.0068
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.0116 0.1085 0.1113
Echinococcus multilocularis muscleblind protein 0.0509 0.5274 0.5274
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0094 0.0843 0.1006
Entamoeba histolytica hypothetical protein 0.0051 0.0391 0.3922
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0055 0.0432 0.0515
Brugia malayi RNA binding protein 0.0092 0.0823 0.0982
Loa Loa (eye worm) hypothetical protein 0.004 0.0271 0.0322
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0099 0.0406
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.024 0.2401 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0094 0.0843 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0256 0.2101
Trypanosoma brucei glucosidase, putative 0.0038 0.0256 0.1057
Brugia malayi ecdysteroid receptor 0.0021 0.0071 0.0083
Schistosoma mansoni smad 0.0016 0.0015 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0071 0.0083
Loa Loa (eye worm) hypothetical protein 0.0798 0.8361 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0055 0.0432 0.0813
Echinococcus granulosus microtubule associated protein 2 0.0513 0.5317 0.6359
Mycobacterium ulcerans hypothetical protein 0.004 0.0271 0.025
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0094 0.0843 0.0841
Mycobacterium leprae Probable lipase LipE 0.004 0.0271 0.0183
Brugia malayi beta-lactamase family protein 0.004 0.0271 0.0322
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1315 0.1313
Loa Loa (eye worm) MH1 domain-containing protein 0.0036 0.0225 0.0267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1315 0.2474
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0396 0.1644
Loa Loa (eye worm) jmjC domain-containing protein 0.0055 0.0432 0.0515
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0256 0.1248
Brugia malayi MH2 domain containing protein 0.0036 0.0225 0.0267
Mycobacterium tuberculosis Conserved protein 0.004 0.0271 0.0261
Schistosoma mansoni microtubule-associated protein tau 0.0513 0.5317 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0173 0.1694 0.2024
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0094 0.0843 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0573 0.1078
Brugia malayi MH1 domain containing protein 0.0036 0.0225 0.0267
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0271 0.0266
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0027 0.0138 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.0937 0.0935
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0002 0.0004
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0002 0.0004
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0902 0.9468 1
Loa Loa (eye worm) nuclear factor I 0.002 0.0055 0.0064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.1315 0.1571
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0051 0.0391 0.0389
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0035 0.0138
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.1694 0.1692
Schistosoma mansoni ap endonuclease 0.0039 0.0256 0.0482
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0496 0.0488
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0071 0.0083
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.024 0.2401 0.2869
Schistosoma mansoni hypothetical protein 0.0051 0.0391 0.0736
Onchocerca volvulus 0.0034 0.0208 0.1233
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.149 0.178

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 21.225 uM PUBCHEM_BIOASSAY: Bacterial Growth Inhibition Counterscreen using BacTiter-Glo Measured in Microorganism System Using Plate Reader - 2093-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488938] ChEMBL. No reference
Potency (functional) 0.0445 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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