Detailed information for compound 1592159

Basic information

Technical information
  • TDR Targets ID: 1592159
  • Name: 2-methyl-1-(phenylmethyl)-2,3-dihydro-1,5-ben zodiazepin-4-amine
  • MW: 265.353 | Formula: C17H19N3
  • H donors: 1 H acceptors: 0 LogP: 2.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1=Nc2ccccc2N(C(C1)C)Cc1ccccc1
  • InChi: 1S/C17H19N3/c1-13-11-17(18)19-15-9-5-6-10-16(15)20(13)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,18,19)
  • InChiKey: QLFCBNMLXSNGMW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [1-(benzyl)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-yl]amine
  • NCI60_037682
  • NSC705836

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 FTZ F1 alpha 0.0191 0.0587 0.062
Brugia malayi RNA binding protein 0.0135 0.0409 0.0422
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Echinococcus multilocularis carboxylesterase 5A 0.3001 0.9461 1
Schistosoma mansoni smad1 5 8 and 0.0006 0.0001 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0191 0.0587 0.0606
Brugia malayi ecdysone receptor 0.009 0.0267 0.0276
Echinococcus granulosus mothers against decapentaplegic 5 0.0006 0.0001 0.0001
Brugia malayi hypothetical protein 0.0507 0.1584 0.1635
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0191 0.0587 0.0606
Loa Loa (eye worm) hypothetical protein 0.0101 0.0302 0.0311
Loa Loa (eye worm) carboxylesterase 0.0507 0.1584 0.1635
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0036
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0191 0.0587 0.062
Brugia malayi hypothetical protein 0.0101 0.0302 0.0311
Loa Loa (eye worm) transcription factor SMAD2 0.0087 0.0255 0.0263
Schistosoma mansoni hypothetical protein 0.0325 0.1009 0.1067
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0039 0.0039
Echinococcus granulosus neuroligin 0.0507 0.1584 0.1674
Schistosoma mansoni hypothetical protein 0.0056 0.0161 0.017
Brugia malayi Protein kinase domain containing protein 0.0011 0.0018 0.0018
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0179 0.0546 0.0563
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.009 0.0267 0.025
Loa Loa (eye worm) hypothetical protein 0.0507 0.1584 0.1635
Schistosoma mansoni steroid hormone receptor ad4bp 0.0191 0.0587 0.062
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.0075 1
Brugia malayi TAR-binding protein 0.0135 0.0409 0.0422
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0191 0.0587 0.062
Brugia malayi hypothetical protein 0.0017 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0191 0.0587 0.0606
Echinococcus multilocularis Nuclear hormone receptor HR96 0.009 0.0267 0.0283
Loa Loa (eye worm) CXXC zinc finger family protein 0.0023 0.0054 0.0055
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0191 0.0587 0.0606
Echinococcus granulosus inositol monophosphatase 1 0.0029 0.0075 0.0079
Echinococcus granulosus retinoic acid receptor rxr beta a 0.027 0.0834 0.0882
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0191 0.0587 0.0606
Echinococcus granulosus tar DNA binding protein 0.0135 0.0409 0.0432
Echinococcus multilocularis inositol monophosphatase 1 0.0029 0.0075 0.0079
Echinococcus multilocularis FTZ F1 alpha 0.0191 0.0587 0.062
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0507 0.1584 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0029 0.0075 0.5
Brugia malayi tailless protein 0.009 0.0267 0.0276
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0008 0.0006 0.0007
Loa Loa (eye worm) carboxylesterase 0.3001 0.9461 0.9773
Brugia malayi Carboxylesterase family protein 0.3001 0.9461 0.9773
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0169 0.0515 0.0544
Schistosoma mansoni aldehyde dehydrogenase 0.0048 0.0135 0.0142
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Brugia malayi Inositol-1 0.0029 0.0075 0.0077
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0048 0.0135 0.0143
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0048 0.0135 0.0142
Echinococcus multilocularis Ankyrin 0.0012 0.0018 0.002
Loa Loa (eye worm) inositol-1 0.0029 0.0075 0.0077
Brugia malayi latrophilin 2 splice variant baaae 0.0122 0.0368 0.0379
Onchocerca volvulus 0.0507 0.1584 0.1568
Loa Loa (eye worm) hypothetical protein 0.0012 0.0018 0.0018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0191 0.0587 0.062
Echinococcus granulosus geminin 0.0171 0.0523 0.0553
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0191 0.0587 0.0606
Brugia malayi F/Y-rich N-terminus family protein 0.0007 0.0004 0.0004
Echinococcus multilocularis BC026374 protein (S09 family) 0.0507 0.1584 0.1674
Brugia malayi nuclear receptor RXR 0.009 0.0267 0.0276
Schistosoma mansoni hypothetical protein 0.0056 0.0161 0.017
Schistosoma mansoni cpg binding protein 0.0024 0.0058 0.0062
Brugia malayi Carboxylesterase family protein 0.0507 0.1584 0.1635
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.0135 0.0396
Brugia malayi Uncoordinated protein 44 0.0011 0.0018 0.0018
Brugia malayi Cytochrome P450 family protein 0.0018 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0101 0.0302 0.0311
Schistosoma mansoni coup transcription factor 0.0191 0.0587 0.062
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0006 0.0001 0.0001
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0507 0.1584 0.1674
Loa Loa (eye worm) hypothetical protein 0.298 0.9395 0.9705
Brugia malayi Nuclear hormone receptor E75 0.009 0.0267 0.0276
Loa Loa (eye worm) hypothetical protein 0.0507 0.1584 0.1635
Echinococcus multilocularis smad 0.0006 0.0001 0.0001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0056 0.0161 0.0165
Schistosoma mansoni RAR-like nuclear receptor 0.0191 0.0587 0.062
Echinococcus multilocularis acetylcholinesterase 0.3001 0.9461 1
Echinococcus granulosus thyroid hormone receptor alpha 0.022 0.0678 0.0717
Brugia malayi photoreceptor-specific nuclear receptor 0.0191 0.0587 0.0606
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0179 0.0546 0.0563
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0191 0.0587 0.062
Brugia malayi nuclear hormone receptor family member odr-7 0.009 0.0267 0.0276
Loa Loa (eye worm) carboxylesterase 0.0507 0.1584 0.1635
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.009 0.0267 0.0283
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0012 0.0018 0.002
Loa Loa (eye worm) hypothetical protein 0.0191 0.0587 0.0606
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0029 0.0075 0.394
Schistosoma mansoni thyroid hormone receptor 0.0191 0.0587 0.062
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0191 0.0587 0.0606
Echinococcus granulosus ecdysone induced protein 78C 0.0191 0.0587 0.062
Brugia malayi Carboxylesterase family protein 0.0507 0.1584 0.1635
Loa Loa (eye worm) hypothetical protein 0.0191 0.0587 0.0606
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0507 0.1584 0.1674
Echinococcus multilocularis mothers against decapentaplegic 5 0.0006 0.0001 0.0001
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.0135 0.0396
Schistosoma mansoni inositol monophosphatase 0.0029 0.0075 0.0079
Schistosoma mansoni netrin receptor unc5 0.0011 0.0018 0.0019
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0018 0.0018
Echinococcus multilocularis GPCR, family 2 0.0056 0.0161 0.017
Toxoplasma gondii histone lysine methyltransferase SET1 0.0043 0.0119 0.8392
Loa Loa (eye worm) hypothetical protein 0.0056 0.0161 0.0165
Loa Loa (eye worm) acetylcholinesterase 1 0.3001 0.9461 0.9773
Brugia malayi Carboxylesterase family protein 0.0507 0.1584 0.1635
Schistosoma mansoni nuclear hormone receptor 0.0191 0.0587 0.062
Brugia malayi conserved hypotetical protein 0.009 0.0267 0.0276
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0191 0.0587 0.0606
Echinococcus granulosus death domain containing protein 0.0011 0.0018 0.0019
Brugia malayi Calcitonin receptor-like protein seb-1 0.0179 0.0546 0.0563
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0191 0.0587 0.0606
Brugia malayi Nuclear hormone receptor-like 1 0.0101 0.0302 0.0311
Loa Loa (eye worm) hypothetical protein 0.0507 0.1584 0.1635
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0011 0.0018 0.0019
Brugia malayi steroid hormone receptor 0.0322 0.0998 0.103
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0011 0.0018 0.0019
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0056 0.0161 0.017
Echinococcus granulosus smad 0.0006 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0011 0.0018 0.0018
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.0075 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.0587 0.0606
Schistosoma mansoni hypothetical protein 0.0056 0.0161 0.017
Schistosoma mansoni cpg binding protein 0.0024 0.0058 0.0062
Brugia malayi nuclear hormone receptor 0.307 0.968 1
Brugia malayi MH2 domain containing protein 0.0087 0.0255 0.0263
Schistosoma mansoni hypothetical protein 0.0171 0.0523 0.0553
Schistosoma mansoni hypothetical protein 0.0011 0.0018 0.0019
Onchocerca volvulus 0.0507 0.1584 0.1568
Schistosoma mansoni hypothetical protein 0.0008 0.0006 0.0007
Loa Loa (eye worm) hypothetical protein 0.0507 0.1584 0.1635
Plasmodium falciparum ataxin-2 like protein, putative 0.0017 0.0036 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0017 0.0036 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0087 0.0255 0.0263
Schistosoma mansoni nuclear hormone receptor 0.009 0.0267 0.0283
Loa Loa (eye worm) hypothetical protein 0.0101 0.0302 0.0311
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0191 0.0587 0.062
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0006 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0191 0.0587 0.0606
Schistosoma mansoni zinc finger protein 0.009 0.0267 0.0283
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0409 0.0432
Brugia malayi Latrophilin receptor protein 2 0.0056 0.0161 0.0165
Echinococcus granulosus netrin receptor unc 5 0.0011 0.0018 0.0019
Schistosoma mansoni gliotactin 0.0507 0.1584 0.1674
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0059 0.0167 0.0177
Loa Loa (eye worm) hypothetical protein 0.0101 0.0302 0.0311
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0507 0.1584 0.1674
Brugia malayi Nuclear hormone receptor E75 0.009 0.0267 0.0276
Schistosoma mansoni smad1 5 8 and 0.0006 0.0001 0.0001
Onchocerca volvulus 0.0507 0.1584 0.1568
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0409 0.0432
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Echinococcus granulosus nuclear receptor nhr 48 0.009 0.0267 0.0283
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0004 0.0005
Onchocerca volvulus Protein ultraspiracle homolog 0.0191 0.0587 0.057
Loa Loa (eye worm) hypothetical protein 0.0507 0.1584 0.1635
Brugia malayi hypothetical protein 0.0011 0.0017 0.0017
Loa Loa (eye worm) steroid hormone receptor 0.0322 0.0998 0.103
Brugia malayi nuclear receptor NHR-88 0.009 0.0267 0.0276
Toxoplasma gondii aldehyde dehydrogenase 0.0048 0.0135 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0191 0.0587 0.0606
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 0.0409 0.0422
Brugia malayi CXXC zinc finger family protein 0.0023 0.0054 0.0055
Trichomonas vaginalis spcc417.12 protein, putative 0.0507 0.1584 1
Schistosoma mansoni smad 0.0006 0.0001 0.0001
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0191 0.0587 0.062
Schistosoma mansoni nuclear receptor 0.009 0.0267 0.0283
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0101 0.0302 0.0319
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0056 0.0161 0.017
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0191 0.0587 0.062
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0101 0.0302 0.0319
Loa Loa (eye worm) hypothetical protein 0.3001 0.9461 0.9773
Echinococcus granulosus nuclear factor of activated T cells 5 0.0059 0.0167 0.0177
Schistosoma mansoni hypothetical protein 0.0122 0.0368 0.0389
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Schistosoma mansoni nuclear receptor 0.009 0.0267 0.0283
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0008 0.0006 0.0007
Echinococcus granulosus BC026374 protein S09 family 0.0507 0.1584 0.1674
Schistosoma mansoni ankyrin 23/unc44 0.0011 0.0018 0.0019
Loa Loa (eye worm) hypothetical protein 0.0191 0.0587 0.0606
Schistosoma mansoni BC026374 protein (S09 family) 0.0507 0.1584 0.1674
Echinococcus granulosus acetylcholinesterase 0.3001 0.9461 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Brugia malayi RNA recognition motif domain containing protein 0.0135 0.0409 0.0422
Brugia malayi follicle stimulating hormone receptor 0.0184 0.0564 0.0582
Echinococcus granulosus TGF beta signal transducer SmadC 0.0006 0.0001 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0191 0.0587 0.0606
Loa Loa (eye worm) RNA binding protein 0.0135 0.0409 0.0422
Mycobacterium tuberculosis Carboxylesterase LipT 0.0507 0.1584 1
Onchocerca volvulus 0.009 0.0267 0.025
Loa Loa (eye worm) hypothetical protein 0.0101 0.0302 0.0311
Onchocerca volvulus 0.0023 0.0054 0.0036
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0191 0.0587 0.062
Echinococcus granulosus Smad4 0.0006 0.0001 0.0001
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0191 0.0587 0.062
Loa Loa (eye worm) hypothetical protein 0.0191 0.0587 0.0606
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0507 0.1584 1
Onchocerca volvulus 0.0507 0.1584 0.1568
Brugia malayi nuclear hormone receptor 0.0191 0.0587 0.0606
Brugia malayi Steroid receptor seven-up type 2 0.0191 0.0587 0.0606
Schistosoma mansoni neuroligin 3 (S09 family) 0.0507 0.1584 0.1674
Schistosoma mansoni smad1 5 8 and 0.0006 0.0001 0.0001
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0507 0.1584 0.1674
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0011 0.0018 0.0018
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.009 0.0267 0.025
Echinococcus multilocularis geminin 0.0171 0.0523 0.0553
Schistosoma mansoni cpg binding protein 0.0023 0.0054 0.0057
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.0075 1
Echinococcus granulosus cpg binding protein 0.0024 0.0058 0.0062
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0048 0.0135 1
Brugia malayi hypothetical protein 0.009 0.0267 0.0276
Brugia malayi orphan nuclear receptor NR2E1 0.009 0.0267 0.0276
Schistosoma mansoni thyroid hormone receptor 0.0191 0.0587 0.062
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0191 0.0587 0.062
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0191 0.0587 0.0606
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0184 0.0564 0.0582
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0101 0.0302 0.0319
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0056 0.0161 0.017
Echinococcus multilocularis neuroligin 0.0507 0.1584 0.1674
Loa Loa (eye worm) nuclear hormone receptor 0.009 0.0267 0.0276
Echinococcus granulosus Nuclear hormone receptor HR96 0.009 0.0267 0.0283
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Onchocerca volvulus Bile acid receptor homolog 0.0191 0.0587 0.057
Echinococcus multilocularis ecdysone induced protein 78C 0.0191 0.0587 0.062
Echinococcus multilocularis para nitrobenzyl esterase 0.0507 0.1584 0.1674
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0191 0.0587 0.062
Schistosoma mansoni hypothetical protein 0.0171 0.0523 0.0553
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Brugia malayi nuclear receptor RXR 0.0101 0.0302 0.0311
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.0075 0.394
Loa Loa (eye worm) TAR-binding protein 0.0135 0.0409 0.0422
Loa Loa (eye worm) hypothetical protein 0.0191 0.0587 0.0606
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0191 0.0587 0.062
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0101 0.0302 0.0311
Loa Loa (eye worm) hypothetical protein 0.0191 0.0587 0.0606
Schistosoma mansoni acetylcholinesterase 0.0507 0.1584 0.1674
Brugia malayi Carboxylesterase family protein 0.0507 0.1584 0.1635
Brugia malayi Nuclear hormone receptor-like 1 0.0191 0.0587 0.0606
Echinococcus granulosus para nitrobenzyl esterase 0.0507 0.1584 0.1674
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0048 0.0135 0.0457
Mycobacterium ulcerans carboxylesterase, LipT 0.0507 0.1584 1
Schistosoma mansoni aldehyde dehydrogenase 0.0048 0.0135 0.0142
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0409 0.0432
Plasmodium falciparum ataxin-2 like protein, putative 0.0017 0.0036 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0004 0.0005
Echinococcus granulosus dnaJ subfamily B 0.0325 0.1009 0.1067
Brugia malayi hypothetical protein 0.0101 0.0302 0.0311
Schistosoma mansoni hypothetical protein 0.0056 0.0161 0.017
Onchocerca volvulus 0.0191 0.0587 0.057
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0191 0.0587 0.0606
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0191 0.0587 0.0606
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0191 0.0587 0.0606
Schistosoma mansoni nuclear receptor nhr-48 0.009 0.0267 0.0283
Brugia malayi Nuclear hormone receptor-like 1 0.0101 0.0302 0.0311
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0048 0.0135 0.0142
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Echinococcus granulosus Nuclear hormone receptor HR96 0.009 0.0267 0.0283
Echinococcus multilocularis Smad4 0.0006 0.0001 0.0001
Echinococcus granulosus acetylcholinesterase 0.3001 0.9461 1
Loa Loa (eye worm) hypothetical protein 0.0507 0.1584 0.1635
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.009 0.0267 0.0283
Brugia malayi hypothetical protein 0.009 0.0267 0.0276
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0191 0.0587 0.062
Echinococcus granulosus carboxylesterase 5A 0.3001 0.9461 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.009 0.0267 0.0283
Onchocerca volvulus 0.009 0.0267 0.025
Echinococcus multilocularis thyroid hormone receptor alpha 0.0191 0.0587 0.062
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0101 0.0302 0.0319
Echinococcus multilocularis netrin receptor unc 5 0.0011 0.0018 0.0019
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0191 0.0587 0.062
Loa Loa (eye worm) latrophilin receptor protein 2 0.0056 0.0161 0.0165
Schistosoma mansoni Smad4 0.0006 0.0001 0.0001
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0056 0.0161 0.017
Echinococcus multilocularis cpg binding protein 0.0024 0.0058 0.0062
Onchocerca volvulus 0.0507 0.1584 0.1568
Schistosoma mansoni inositol monophosphatase 0.0029 0.0075 0.0079
Loa Loa (eye worm) hypothetical protein 0.009 0.0267 0.0276
Echinococcus multilocularis tar DNA binding protein 0.0135 0.0409 0.0432
Loa Loa (eye worm) histone methyltransferase 0.0007 0.0004 0.0004
Echinococcus granulosus GPCR family 2 0.0056 0.0161 0.017
Loa Loa (eye worm) hypothetical protein 0.0507 0.1584 0.1635
Loa Loa (eye worm) hypothetical protein 0.0122 0.0368 0.0379
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0191 0.0587 0.0606
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.0135 0.0396
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.009 0.0267 0.0283
Echinococcus granulosus Ankyrin 0.0012 0.0018 0.002
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0191 0.0587 0.0606
Brugia malayi nuclear receptor NHR-67 0.009 0.0267 0.0276
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0191 0.0587 0.0606
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0191 0.0587 0.0606
Brugia malayi Carboxylesterase family protein 0.3001 0.9461 0.9773
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.009 0.0267 0.0283
Brugia malayi nuclear receptor NHR-88 0.0191 0.0587 0.0606
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0191 0.0587 0.062
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.3001 0.9461 1
Echinococcus multilocularis acetylcholinesterase 0.3001 0.9461 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0029 0.0075 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0191 0.0587 0.0606
Schistosoma mansoni retinoic acid receptor RXR 0.027 0.0834 0.0882
Brugia malayi Death domain containing protein 0.0011 0.0018 0.0018
Echinococcus multilocularis dnaJ subfamily B 0.0325 0.1009 0.1067
Brugia malayi ecdysteroid receptor 0.0191 0.0587 0.0606
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0409 0.0432
Schistosoma mansoni nuclear hormone receptor 0.009 0.0267 0.0283
Loa Loa (eye worm) DR-78 0.009 0.0267 0.0276
Brugia malayi nuclear hormone receptor family member nhr-6 0.009 0.0267 0.0276
Loa Loa (eye worm) hypothetical protein 0.3001 0.9461 0.9773
Echinococcus granulosus nuclear receptor 2DBD gamma 0.009 0.0267 0.0283
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0507 0.1584 0.1674
Loa Loa (eye worm) nuclear receptor nhr-7B 0.307 0.968 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0191 0.0587 0.062
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0191 0.0587 0.062
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0026 0.0065 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0507 0.1584 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.009 0.0267 0.0276
Loa Loa (eye worm) hypothetical protein 0.0179 0.0546 0.0563
Echinococcus multilocularis nuclear receptor nhr 48 0.009 0.0267 0.0283
Schistosoma mansoni tar DNA-binding protein 0.0135 0.0409 0.0432
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.009 0.0267 0.0276
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.009 0.0267 0.0283
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0191 0.0587 0.062

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.654 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.402 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.834 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.818 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.787 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.781 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.779 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.744 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.66 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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