Detailed information for compound 1010713

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.496 | Formula: C23H21N3O3S
  • H donors: 3 H acceptors: 2 LogP: 3.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1O)C1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O
  • InChi: 1S/C23H21N3O3S/c1-29-22-13-15(11-12-21(22)28)19-14-18(17-9-5-6-10-20(17)27)25-26(19)23(30)24-16-7-3-2-4-8-16/h2-13,19,27-28H,14H2,1H3,(H,24,30)
  • InChiKey: WOEUYNMHIPCGSU-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
Schistosoma mansoni intermediate filament proteins 0.003 0.024 0.0283
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.1023 0.5293
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0337 0.0445
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0337 0.9493
Onchocerca volvulus 0.016 0.1718 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0152 0.0179
Brugia malayi hypothetical protein 0.0012 0.0035 0.0182
Loa Loa (eye worm) hypothetical protein 0.0017 0.01 0.0517
Schistosoma mansoni coup transcription factor 0.0022 0.0152 0.0179
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0035 0.0182
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0021 0.0021
Brugia malayi nuclear receptor RXR 0.0012 0.0035 0.0182
Echinococcus multilocularis lamin 0.003 0.024 0.024
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0337 0.9493
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0021 0.0109
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0152 0.0785
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0183
Brugia malayi jmjC domain containing protein 0.0017 0.01 0.0517
Echinococcus granulosus intermediate filament protein 0.003 0.024 0.0283
Brugia malayi jmjC domain containing protein 0.0017 0.01 0.0517
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Plasmodium falciparum JmjC domain-containing protein, putative 0.0017 0.01 1
Brugia malayi hypothetical protein 0.0038 0.0337 0.174
Loa Loa (eye worm) hypothetical protein 0.0022 0.0152 0.0786
Echinococcus granulosus microtubule associated protein 2 0.0757 0.8496 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Echinococcus granulosus JmjC domain containing protein 4 0.0017 0.01 0.0118
Brugia malayi hypothetical protein 0.016 0.1718 0.8889
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0118 0.0118
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0072 0.2036
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0021 0.0021
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0085 0.0437
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.1023 0.1204
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0152 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0152 0.0785
Brugia malayi beta-lactamase 0.0038 0.0337 0.1742
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.0654 0.077
Brugia malayi ecdysteroid receptor 0.0022 0.0152 0.0785
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0017 0.01 0.2046
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0337 0.0445
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0152 0.0786
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0021 0.0123
Schistosoma mansoni lamin 0.003 0.024 0.0283
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0337 0.0396
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0183
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0355 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0337 0.0445
Brugia malayi nuclear receptor NHR-88 0.0022 0.0152 0.0785
Schistosoma mansoni phosphatidylserine receptor 0.0017 0.01 0.0118
Echinococcus granulosus lysine specific demethylase 5A 0.0066 0.0654 0.077
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0337 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.0654 0.3386
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0067 0.0067
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0021 0.0025
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0337 0.9493
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0355 1
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0337 0.0445
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0072 0.2036
Loa Loa (eye worm) hypothetical protein 0.0038 0.0337 0.1743
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0314
Echinococcus granulosus lamin 0.003 0.024 0.0283
Echinococcus multilocularis musashi 0.003 0.024 0.024
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0337 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0021 0.0021
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0021 0.0109
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.1023 0.5293
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0152 0.0152
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0152 0.0179
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0035 0.0182
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0152 0.0785
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0152 0.0152
Mycobacterium ulcerans hypothetical protein 0.0038 0.0337 0.0445
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Loa Loa (eye worm) intermediate filament protein 0.003 0.024 0.1244
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0152 0.0786
Schistosoma mansoni microtubule-associated protein tau 0.0757 0.8496 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0152 0.0786
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0355 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0152 0.0883
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.01 0.0517
Loa Loa (eye worm) hypothetical protein 0.0022 0.0152 0.0786
Onchocerca volvulus 0.0103 0.1078 0.6273
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1023 0.1204
Schistosoma mansoni hypothetical protein 0.0179 0.1938 0.2281
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0152 0.0785
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0038 0.0337 0.1743
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0152 0.0785
Brugia malayi nuclear receptor NHR-67 0.001 0.0021 0.0109
Brugia malayi Glycosyl hydrolases family 31 protein 0.0179 0.1933 1
Brugia malayi tailless protein 0.001 0.0021 0.0109
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0355 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0152 0.0179
Echinococcus granulosus tumor protein p63 0.0357 0.396 0.4661
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0337 0.9493
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0118 0.0138
Brugia malayi intermediate filament protein 0.003 0.024 0.1243
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0152 0.0152
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0021 0.0025
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0337 0.1743
Mycobacterium ulcerans beta-lactamase 0.0038 0.0337 0.0445
Brugia malayi beta-lactamase family protein 0.0038 0.0337 0.1742
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0035 0.0042
Onchocerca volvulus 0.0027 0.0213 0.1237
Loa Loa (eye worm) hypothetical protein 0.0022 0.0152 0.0786
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.0072 0.2036
Onchocerca volvulus 0.0022 0.0152 0.0883
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0337 0.0396
Loa Loa (eye worm) hypothetical protein 0.0029 0.0234 0.1212
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.01 0.0517
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0152 0.0786
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0035 0.0041
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0152 0.0786
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0355 1
Onchocerca volvulus 0.003 0.024 0.1399
Brugia malayi jmjC domain containing protein 0.0017 0.01 0.0517
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0065 0.0637 0.075
Brugia malayi jmjC domain containing protein 0.0066 0.0654 0.3385
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0152 0.0785
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0021 0.0109
Loa Loa (eye worm) hypothetical protein 0.0038 0.0337 0.1743
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Onchocerca volvulus 0.0038 0.0337 0.196
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0337 0.0396
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0152 0.0786
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0152 0.0785
Leishmania major hypothetical protein, conserved 0.0017 0.01 0.2815
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.0072 0.0374
Entamoeba histolytica hypothetical protein 0.0038 0.0337 0.9484
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0058 0.0558 0.0656
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0355 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0337 0.9493
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0072 0.2036
Brugia malayi jmjC domain containing protein 0.0017 0.01 0.0517
Brugia malayi ecdysone receptor 0.001 0.0021 0.0109
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0337 0.0445
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0152 0.0152
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0675 0.7567 1
Toxoplasma gondii ABC1 family protein 0.0038 0.0337 0.6901
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.1023 0.1204
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0021 0.011
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0355 0.0418
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0035 0.0041
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0015 0.0072 0.2036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0152 0.0786
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0021 0.0025
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0072 0.2036
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.1023 0.1023
Loa Loa (eye worm) DR-78 0.001 0.0021 0.011
Loa Loa (eye worm) hypothetical protein 0.0008 0 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0355 1
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0152 0.0152
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0152 0.0179
Onchocerca volvulus 0.001 0.0021 0.0123
Loa Loa (eye worm) hypothetical protein 0.0015 0.0072 0.0374
Brugia malayi beta-lactamase family protein 0.0038 0.0337 0.1742
Loa Loa (eye worm) hypothetical protein 0.0052 0.0498 0.2578
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0021 0.011
Loa Loa (eye worm) hypothetical protein 0.0017 0.01 0.0517
Entamoeba histolytica hypothetical protein 0.0038 0.0337 0.9484
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0152 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0152 0.0785
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0355 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0337 0.1743
Echinococcus multilocularis geminin 0.0179 0.1938 0.1938
Brugia malayi steroid hormone receptor 0.0022 0.0152 0.0785
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.0355 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0072 0.2036
Schistosoma mansoni alpha-glucosidase 0.0154 0.1651 0.1943
Echinococcus multilocularis tumor protein p63 0.0357 0.396 0.396
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0152 0.0785
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0021 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0152 0.0786
Brugia malayi hypothetical protein 0.0012 0.0035 0.0182
Schistosoma mansoni alpha glucosidase 0.004 0.0355 0.0417
Brugia malayi CXXC zinc finger family protein 0.0027 0.0213 0.1099
Schistosoma mansoni protein phosphatase 2C 0.0017 0.01 0.0118
Schistosoma mansoni cpg binding protein 0.0029 0.023 0.0271
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.024 0.1243
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0179 0.1933 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0152 0.0179
Onchocerca volvulus 0.0038 0.0337 0.196
Loa Loa (eye worm) hypothetical protein 0.0022 0.0152 0.0786
Loa Loa (eye worm) hypothetical protein 0.0022 0.0152 0.0786
Loa Loa (eye worm) hypothetical protein 0.0038 0.0337 0.1743
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0067 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0152 0.0785
Echinococcus multilocularis lysine specific demethylase 5A 0.0065 0.0637 0.0637
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0152 0.0785
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.01 0.0517
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0021 0.0025
Leishmania major glycosyl hydrolase-like protein 0.0015 0.0072 0.2036
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Mycobacterium tuberculosis Conserved protein 0.0038 0.0337 0.0445
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0355 0.0355
Loa Loa (eye worm) hypothetical protein 0.0017 0.01 0.0517
Onchocerca volvulus 0.0038 0.0337 0.196
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0021 0.011
Brugia malayi nuclear hormone receptor 0.001 0.0021 0.0109
Mycobacterium leprae Probable lipase LipE 0.0038 0.0337 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.0654 0.077
Echinococcus multilocularis JmjC domain containing protein 4 0.0017 0.01 0.01
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0038 0.0337 0.0396
Brugia malayi Nuclear hormone receptor E75 0.001 0.0021 0.0109
Entamoeba histolytica hypothetical protein 0.0038 0.0337 0.9484
Schistosoma mansoni nuclear receptor 0.001 0.0021 0.0025
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0183
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0337 0.0445
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0017 0.01 0.0118
Schistosoma mansoni nuclear receptor 0.001 0.0021 0.0025
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0 0.0001
Brugia malayi hypothetical protein 0.001 0.0021 0.0109
Loa Loa (eye worm) hypothetical protein 0.0008 0 0.0001
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0017 0.01 0.2815
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0021 0.0025
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0337 0.0337
Schistosoma mansoni cpg binding protein 0.0027 0.0213 0.025
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0152 0.0179
Schistosoma mansoni lamin 0.003 0.024 0.0283
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.024 0.1244
Schistosoma mansoni jumonji domain containing protein 0.0017 0.01 0.0118
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0355 0.1836
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0152 0.0179
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0152 0.0179
Loa Loa (eye worm) hypothetical protein 0.016 0.1718 0.8889
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0675 0.7567 1
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0152 0.0179
Loa Loa (eye worm) hypothetical protein 0.0022 0.0152 0.0786
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.1933 0.1933
Schistosoma mansoni jumonji domain containing protein 0.0065 0.0637 0.075
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0152 0.0179
Brugia malayi nuclear receptor NHR-88 0.001 0.0021 0.0109
Schistosoma mansoni nuclear hormone receptor 0.001 0.0021 0.0025
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0015 0.0072 0.042
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0355 0.7269
Loa Loa (eye worm) hypothetical protein 0.003 0.024 0.1244
Echinococcus multilocularis cpg binding protein 0.0029 0.023 0.023
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0065 0.0637 0.0637
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.1933 0.1933
Loa Loa (eye worm) hypothetical protein 0.0022 0.0152 0.0786
Loa Loa (eye worm) hypothetical protein 0.0014 0.0067 0.0345
Onchocerca volvulus 0.0013 0.0048 0.028
Mycobacterium tuberculosis Conserved protein 0.0038 0.0337 0.0445
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0355 1
Loa Loa (eye worm) hypothetical protein 0.0008 0 0.0001
Loa Loa (eye worm) beta-lactamase 0.0038 0.0337 0.1743
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0152 0.0785
Brugia malayi Nuclear hormone receptor E75 0.001 0.0021 0.0109
Plasmodium vivax JmjC domain containing protein 0.0017 0.01 0.2965
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1023 0.1204
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0152 0.0179
Loa Loa (eye worm) hypothetical protein 0.0008 0 0.0001
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0337 0.0445
Echinococcus granulosus jumonji domain containing 1A 0.0017 0.01 0.0118
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Brugia malayi nuclear receptor RXR 0.001 0.0021 0.0109
Loa Loa (eye worm) CXXC zinc finger family protein 0.0027 0.0213 0.11
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0152 0.0179
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0355 1
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0017 0.01 0.2046
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0337 0.0396
Loa Loa (eye worm) oxidoreductase 0.0008 0 0.0001
Schistosoma mansoni nuclear hormone receptor 0.001 0.0021 0.0025
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0017 0.01 0.2815
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0072 0.2036
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0015 0.0072 0.2036
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0152 0.0883
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0152 0.0152
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0 0.0001
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0152 0.0179
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1023 0.1204
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0152 0.0152
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0337 0.9493
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0337 0.0445
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0152 0.0179
Leishmania major hypothetical protein, conserved 0.0038 0.0337 0.9493
Onchocerca volvulus 0.003 0.024 0.1399
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0017 0.01 0.2815
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0337 0.0337
Mycobacterium ulcerans lipase LipD 0.0038 0.0337 0.0445
Loa Loa (eye worm) hypothetical protein 0.0008 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0314
Loa Loa (eye worm) hypothetical protein 0.0038 0.0337 0.1743
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0183
Echinococcus granulosus lamin dm0 0.003 0.024 0.0283
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0355 0.1835
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0152 0.0883
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0355 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0355 1
Echinococcus multilocularis phd:f box containing protein 0.0017 0.01 0.01
Onchocerca volvulus 0.0052 0.0498 0.2899
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0337 0.0445
Trichomonas vaginalis esterase, putative 0.0038 0.0337 0.9493
Echinococcus multilocularis jumonji domain containing 1A 0.0017 0.01 0.01
Schistosoma mansoni phd/f-box containing protein 0.0017 0.01 0.0118
Trichomonas vaginalis maltase-glucoamylase, putative 0.0015 0.0072 0.2036
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0015 0.0072 0.2036
Schistosoma mansoni hypothetical protein 0.0179 0.1938 0.2281
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0498 0.0586
Loa Loa (eye worm) hypothetical protein 0.0022 0.0152 0.0786
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0152 0.0785
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0337 0.9493
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.2665 0.3522
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0021 0.0025
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0021 0.0109
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0152 0.0785
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0183
Brugia malayi conserved hypotetical protein 0.001 0.0021 0.0109
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0152 0.0179
Schistosoma mansoni cpg binding protein 0.0029 0.023 0.0271
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0152 0.0152
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0035 0.0035
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0021 0.0021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.1023 0.1023
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0021 0.0025
Echinococcus granulosus lysine specific demethylase 6a 0.0017 0.01 0.0118
Brugia malayi nuclear hormone receptor 0.0022 0.0152 0.0785
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0085 0.0438
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0072 0.2036
Echinococcus multilocularis lysine specific demethylase 6a 0.0017 0.01 0.01
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0021 0.0025
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0021 0.0021
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0152 0.0179
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0337 0.1742
Schistosoma mansoni alpha-glucosidase 0.0154 0.1651 0.1943
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0337 0.0445
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0035 0.0183
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0152 0.0179
Echinococcus granulosus geminin 0.0179 0.1938 0.2282
Echinococcus multilocularis lamin dm0 0.003 0.024 0.024
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0337 0.0396
Loa Loa (eye worm) hypothetical protein 0.001 0.0021 0.011
Brugia malayi jmjC domain containing protein 0.0065 0.0637 0.3294
Onchocerca volvulus 0.001 0.0021 0.0123
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0021 0.0123
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0355 1
Echinococcus multilocularis microtubule associated protein 2 0.0757 0.8496 0.8496
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0152 0.0179
Entamoeba histolytica hypothetical protein 0.0038 0.0337 0.9484
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0152 0.0785
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0152 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0152 0.0785
Echinococcus granulosus cpg binding protein 0.0029 0.023 0.0271
Toxoplasma gondii histone lysine methyltransferase SET1 0.0051 0.0488 1
Trypanosoma brucei glucosidase, putative 0.004 0.0355 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0179 0.1933 0.2275
Echinococcus granulosus phd:f box containing protein 0.0017 0.01 0.0118
Schistosoma mansoni zinc finger protein 0.001 0.0021 0.0025
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0337 0.9493
Brugia malayi hypothetical protein 0.001 0.0021 0.0109

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 40.07 uM Inhibition of MAOA in rat liver homogenates preincubated for 60 mins ChEMBL. 18980841
IC50 (binding) = 450.6 uM Inhibition of MAOB in rat liver homogenates preincubated for 60 mins ChEMBL. 18980841

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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