Detailed information for compound 1635136

Basic information

Technical information
  • TDR Targets ID: 1635136
  • Name: NCI60_039080
  • MW: 554.721 | Formula: C38H38N2O2
  • H donors: 2 H acceptors: 0 LogP: 8.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Nc1ccc(cc1)Oc1ccc(cc1)C1(C2CC3C4C1C1C(C2)C3CC(C1)C4)c1ccc(cc1)Oc1ccc(cc1)N
  • InChi: 1S/C38H38N2O2/c39-26-5-13-30(14-6-26)41-28-9-1-23(2-10-28)38(24-3-11-29(12-4-24)42-31-15-7-27(40)8-16-31)25-20-33-32-17-22-18-35(33)37(38)36(19-22)34(32)21-25/h1-16,22,25,32-37H,17-21,39-40H2
  • InChiKey: AKQGWCMCPFIHOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,3-bis[4-(4-aminoiphenoxy)phenyl]diamantane
  • NSC711113

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 GPCR family 2 0.0016 0.0223 0.0207
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0089 0.0068
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0953 0.1173
Brugia malayi brahma associated protein 60 kDa 0.0329 0.7849 1
Schistosoma mansoni hypothetical protein 0.0009 0.0052 0.0037
Schistosoma mansoni glutamate synthase 0.0009 0.0052 0.0037
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0645 0.2248
Onchocerca volvulus Huntingtin homolog 0.0125 0.2882 0.3629
Onchocerca volvulus 0.0117 0.2688 0.338
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0496 0.1682
Echinococcus multilocularis GPCR, family 2 0.0016 0.0223 0.0207
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0117 0.2688 0.2676
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0089 0.0074
Mycobacterium ulcerans NADH dehydrogenase 0.0009 0.0052 0.0124
Leishmania major trypanothione reductase 0.0096 0.2165 0.8018
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0018 0.0278 0.0409
Trichomonas vaginalis ferritin, putative 0.0008 0.0045 0.0057
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1053 0.1301
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0645 0.063
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0645 0.0821
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1053 0.1301
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0018 0.0278 0.3884
Schistosoma mansoni hypothetical protein 0.0417 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0096 0.2165 0.2725
Plasmodium falciparum thioredoxin reductase 0.0096 0.2165 0.271
Leishmania major hypothetical protein, conserved 0.0117 0.2688 1
Echinococcus multilocularis 0.0018 0.0278 0.0263
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0018 0.0278 0.3884
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0218 0.5147 0.896
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 0.2165 0.3724
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0645 0.063
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0052 0.0067
Schistosoma mansoni disulfide oxidoreductase 0.0009 0.0052 0.0037
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0645 0.2248
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0018 0.0278 0.0856
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0009 0.0052 0.5
Schistosoma mansoni ferritin 0.0008 0.0045 0.0029
Loa Loa (eye worm) hypothetical protein 0.0117 0.2688 0.3394
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0052 0.0067
Schistosoma mansoni ferritin 0.0008 0.0045 0.0029
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0018 0.0278 0.0409
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0009 0.0052 0.0037
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0018 0.0278 0.3884
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0329 0.7849 0.7845
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0089 0.0074
Echinococcus granulosus FTZ F1 alpha 0.001 0.0089 0.0074
Trichomonas vaginalis glutamate synthase, putative 0.0009 0.0052 0.0067
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0009 0.0052 0.0067
Echinococcus multilocularis muscleblind protein 0.0149 0.3479 0.3469
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0218 0.5147 0.896
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0117 0.2688 0.3394
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0645 0.2248
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0645 0.2248
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0018 0.0278 0.3884
Brugia malayi nuclear receptor NHR-88 0.001 0.0089 0.0068
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0018 0.0278 0.3884
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0037 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0089 0.0068
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2748 0.3471
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0645 0.2248
Echinococcus granulosus muscleblind protein 0.0149 0.3479 0.3469
Mycobacterium ulcerans monoxygenase 0.0009 0.0052 0.0124
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0218 0.5147 0.896
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0117 0.2688 0.2676
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0645 0.2248
Schistosoma mansoni apoferritin-2 0.0008 0.0045 0.0029
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0018 0.0278 0.3884
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0018 0.0278 0.0409
Schistosoma mansoni cpg binding protein 0.0031 0.0593 0.0578
Schistosoma mansoni hypothetical protein 0.0329 0.7849 0.7845
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.119 0.1459
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0953 0.0939
Echinococcus multilocularis smad 0.0008 0.0037 0.0021
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0117 0.2688 1
Echinococcus granulosus SWI:SNF matrix associated 0.0329 0.7849 0.7845
Echinococcus multilocularis dnaJ subfamily B 0.0417 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0089 0.0074
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0018 0.0278 0.3884
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0089 0.0068
Mycobacterium leprae putative cytochrome p450 0.0018 0.0278 0.0409
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0052 0.0067
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0117 0.2688 0.3394
Loa Loa (eye worm) hypothetical protein 0.001 0.0089 0.0068
Onchocerca volvulus 0.0029 0.0552 0.0641
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0089 0.0068
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0329 0.7849 1
Mycobacterium ulcerans ferredoxin reductase 0.0009 0.0052 0.0124
Brugia malayi hypothetical protein 0.0125 0.2882 0.3642
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1352 0.1338
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0089 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0089 0.0068
Brugia malayi cytochrome P450 0.0018 0.0278 0.0309
Loa Loa (eye worm) hypothetical protein 0.001 0.0089 0.0068
Echinococcus granulosus smad 0.0008 0.0037 0.0021
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0223 0.0207
Loa Loa (eye worm) hypothetical protein 0.0009 0.0056 0.0025
Schistosoma mansoni smad1 5 8 and 0.0008 0.0037 0.0021
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.2688 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0089 0.0074
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0089 0.0074
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0037 0.0021
Entamoeba histolytica disulphide oxidoreductase, putative 0.0009 0.0052 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0089 0.0074
Schistosoma mansoni glutamate synthase 0.0009 0.0052 0.0037
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0117 0.2688 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0089 0.0048
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0645 0.2248
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0009 0.0052 0.0124
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0645 0.2248
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0117 0.2688 0.2676
Schistosoma mansoni smad 0.0008 0.0037 0.0021
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0645 0.2248
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0009 0.0052 0.0124
Echinococcus multilocularis muscleblind protein 1 0.0149 0.3479 0.3469
Echinococcus multilocularis SWI:SNF matrix associated 0.0329 0.7849 0.7845
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0645 0.076
Schistosoma mansoni hypothetical protein 0.0016 0.0223 0.0207
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0009 0.0052 0.0013
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0645 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0645 0.063
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0009 0.0052 0.5
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0018 0.0278 0.3884
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0052 0.0067
Loa Loa (eye worm) hypothetical protein 0.0149 0.3479 0.4406
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0117 0.2688 1
Trypanosoma brucei trypanothione reductase 0.0096 0.2165 0.8018
Schistosoma mansoni Smad4 0.0008 0.0037 0.0021
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0117 0.2688 0.338
Schistosoma mansoni fusion 0.0117 0.2688 0.2676
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0278 0.0856
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0223 0.0238
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0552 0.066
Trichomonas vaginalis glutamate synthase, putative 0.0009 0.0052 0.0067
Treponema pallidum oxidoreductase 0.0009 0.0052 0.0124
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0645 0.076
Echinococcus granulosus glutamate synthase 0.0009 0.0052 0.0037
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0089 0.0048
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0089 0.0068
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0009 0.0052 0.0124
Onchocerca volvulus Huntingtin homolog 0.0125 0.2882 0.3629
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0018 0.0278 0.3884
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0018 0.0278 0.3884
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0018 0.0278 0.3884
Brugia malayi glutathione reductase 0.0096 0.2165 0.2725
Brugia malayi Thioredoxin reductase 0.0096 0.2165 0.2725
Trypanosoma brucei cytochrome P450, putative 0.0027 0.0496 0.1682
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0009 0.0052 0.0037
Schistosoma mansoni sulfide quinone reductase 0.0009 0.0052 0.0037
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0431 0.0504
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0089 0.0074
Mycobacterium tuberculosis Probable dehydrogenase 0.0218 0.5147 0.896
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0018 0.0278 0.3884
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0953 0.0939
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0645 0.2248
Mycobacterium tuberculosis Probable oxidoreductase 0.0242 0.5739 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0089 0.0074
Schistosoma mansoni brg-1 associated factor 0.0329 0.7849 0.7845
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0089 0.0074
Onchocerca volvulus 0.0117 0.2688 0.338
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0018 0.0278 0.3884
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0645 0.2248
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0052 0.0067
Echinococcus multilocularis SWI:SNF matrix associated 0.0329 0.7849 0.7845
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0496 0.0588
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0089 0.0068
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0645 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0278 0.0856
Schistosoma mansoni TRABID protein (C64 family) 0.0117 0.2688 0.2676
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0089 0.0068
Brugia malayi CXXC zinc finger family protein 0.0029 0.0552 0.066
Leishmania major hypothetical protein, conserved 0.0117 0.2688 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0329 0.7849 1
Brugia malayi Cytochrome P450 family protein 0.0027 0.0496 0.0588
Onchocerca volvulus 0.0329 0.7849 1
Echinococcus multilocularis cpg binding protein 0.0031 0.0593 0.0578
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0009 0.0052 0.5
Treponema pallidum thioredoxin reductase (trxB) 0.0009 0.0052 0.0124
Schistosoma mansoni smad1 5 8 and 0.0008 0.0037 0.0021
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0009 0.0052 0.0067
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0018 0.0278 0.0409
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0009 0.0052 0.002
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0089 0.0074
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0645 0.2248
Plasmodium falciparum thioredoxin reductase 0.0033 0.0645 0.076
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0645 0.0778
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0089 0.0074
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0496 0.1682
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0009 0.0052 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0953 0.0939
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0223 0.0207
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0645 0.076
Loa Loa (eye worm) hypothetical protein 0.0149 0.3479 0.4406
Echinococcus granulosus ferritin 0.0008 0.0045 0.0029
Echinococcus granulosus thioredoxin glutathione reductase 0.0096 0.2165 0.2153
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.2688 1
Brugia malayi glutamate synthase 0.0009 0.0052 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0329 0.7849 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0329 0.7849 0.7845
Schistosoma mansoni thyroid hormone receptor 0.001 0.0089 0.0074
Leishmania major cytochrome p450-like protein 0.0027 0.0496 0.1682
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0018 0.0278 0.3884
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0009 0.0052 0.0037
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0645 0.2248
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0009 0.0052 0.0124
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0089 0.0074
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0.0496 0.7513
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0009 0.0052 0.0013
Schistosoma mansoni smad1 5 8 and 0.0008 0.0037 0.0021
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0089 0.0074
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0037 0.0021
Echinococcus multilocularis ring and YY1 binding protein 0.0117 0.2688 0.2676
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0645 0.2248
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0645 1
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0009 0.0052 0.0124
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0329 0.7849 0.7845
Plasmodium vivax thioredoxin reductase, putative 0.0096 0.2165 0.271
Schistosoma mansoni cpg binding protein 0.0031 0.0593 0.0578
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0018 0.0278 0.3884
Loa Loa (eye worm) hypothetical protein 0.0117 0.2688 0.3394
Schistosoma mansoni ferritin 0.0008 0.0045 0.0029
Schistosoma mansoni hypothetical protein 0.0018 0.0278 0.0263
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0009 0.0052 0.0013
Brugia malayi Cytochrome P450 family protein 0.0018 0.0278 0.0309
Leishmania major cytochrome p450-like protein 0.0018 0.0278 0.0856
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0089 0.0068
Schistosoma mansoni hypothetical protein 0.0329 0.7849 0.7845
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0009 0.0052 0.0013
Echinococcus multilocularis expressed protein 0.0008 0.0045 0.0029
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0009 0.0052 0.0067
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0018 0.0278 0.3884
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0089 0.0068
Schistosoma mansoni hypothetical protein 0.0016 0.0223 0.0207
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0089 0.0068
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0018 0.0278 0.3884
Schistosoma mansoni hypothetical protein 0.0016 0.0223 0.0207
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0645 0.076
Mycobacterium tuberculosis Probable reductase 0.0218 0.5147 0.896
Trypanosoma cruzi trypanothione reductase, putative 0.0096 0.2165 0.8018
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0496 0.0588
Loa Loa (eye worm) hypothetical protein 0.001 0.0089 0.0068
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0329 0.7849 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0953 0.0939
Plasmodium falciparum glutathione reductase 0.0033 0.0645 0.076
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0009 0.0052 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0089 0.0068
Trypanosoma brucei hypothetical protein, conserved 0.0117 0.2688 1
Leishmania major hypothetical protein, conserved 0.0117 0.2688 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0089 0.0068
Schistosoma mansoni cpg binding protein 0.0029 0.0552 0.0537
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0009 0.0052 0.0037
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0018 0.0278 0.0409
Echinococcus granulosus Zinc finger RanBP2 type 0.0117 0.2688 0.2676
Echinococcus multilocularis zinc finger protein Ran binding 0.0117 0.2688 0.2676
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0009 0.0052 0.0124
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.0278 0.0263
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0018 0.0278 0.3884
Schistosoma mansoni apoferritin-2 0.0008 0.0045 0.0029
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0953 0.0939
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0645 0.0821
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0645 0.2248
Treponema pallidum NADH oxidase 0.0033 0.0645 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0037 0.0021
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0242 0.5739 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0117 0.2688 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0018 0.0278 0.0409
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0018 0.0278 0.0409
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0009 0.0052 0.0037
Trypanosoma cruzi WLM domain containing protein, putative 0.0117 0.2688 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0009 0.0052 0.002
Echinococcus multilocularis ferritin 0.0008 0.0045 0.0029
Loa Loa (eye worm) hypothetical protein 0.001 0.0089 0.0068
Mycobacterium ulcerans glutamate synthase subunit beta 0.0009 0.0052 0.0124
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0218 0.5147 0.896
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0117 0.2688 1
Toxoplasma gondii ran binding protein 0.0117 0.2688 0.338
Brugia malayi steroid hormone receptor 0.001 0.0089 0.0068
Loa Loa (eye worm) hypothetical protein 0.0009 0.0052 0.002
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0018 0.0278 0.0409
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0329 0.7849 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0018 0.0278 0.0409
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0645 0.076
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0009 0.0052 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2748 0.3471
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0009 0.0052 0.0037
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0089 0.0074
Mycobacterium leprae Conserved hypothetical protein 0.0018 0.0278 0.0409
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0009 0.0052 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0018 0.0278 0.0409
Loa Loa (eye worm) hypothetical protein 0.0117 0.2688 0.3394
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0009 0.0052 0.0124
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0009 0.0052 0.0067
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0089 0.0068
Loa Loa (eye worm) hypothetical protein 0.001 0.0089 0.0068
Loa Loa (eye worm) programmed cell death 8 0.0009 0.0052 0.002
Schistosoma mansoni ferritin light chain 0.0008 0.0045 0.0029
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0009 0.0052 0.0013
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0056 0.0025
Echinococcus granulosus expressed protein 0.0008 0.0045 0.0029
Brugia malayi SWIB/MDM2 domain containing protein 0.0329 0.7849 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0329 0.7849 1
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0009 0.0052 0.0124
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0009 0.0052 0.0037
Loa Loa (eye worm) hypothetical protein 0.005 0.1053 0.1301
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0223 0.0207
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0018 0.0278 0.0856
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0223 0.0207
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0089 0.0074
Loa Loa (eye worm) hypothetical protein 0.001 0.0089 0.0068
Echinococcus multilocularis thioredoxin glutathione reductase 0.0096 0.2165 0.2153
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0242 0.5739 1
Brugia malayi Cytochrome P450 family protein 0.0027 0.0496 0.0588
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0009 0.0052 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.0117 0.2688 0.2676
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0009 0.0052 0.0037
Toxoplasma gondii cytochrome p450 superfamily protein 0.0018 0.0278 0.0289
Schistosoma mansoni RNA binding protein 0.0117 0.2688 0.2676
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0117 0.2688 0.3394
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0018 0.0278 0.0409
Loa Loa (eye worm) hypothetical protein 0.0125 0.2882 0.3642
Brugia malayi brahma associated protein 60 kDa 0.0329 0.7849 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0329 0.7849 1
Onchocerca volvulus 0.0117 0.2688 0.338
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0018 0.0278 0.0409
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0089 0.0074
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0009 0.0052 0.002
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0645 1
Leishmania major cytochrome p450-like protein 0.0018 0.0278 0.0856
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0018 0.0278 0.0409
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0089 0.0068
Entamoeba histolytica thioredoxin reductase, putative 0.0009 0.0052 0.5
Trichomonas vaginalis apoptosis inducing factor, putative 0.0009 0.0052 0.0067
Chlamydia trachomatis SWIB complex protein 0.0329 0.7849 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0089 0.0068
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0645 0.076
Schistosoma mansoni ferritin 0.0008 0.0045 0.0029
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0953 0.0939
Schistosoma mansoni cytochrome P450 0.0018 0.0278 0.0263
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0117 0.2688 0.338
Chlamydia trachomatis DNA topoisomerase I 0.0329 0.7849 1
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0009 0.0052 0.0013
Echinococcus multilocularis glutamate synthase 0.0009 0.0052 0.0037
Brugia malayi YY1-associated factor 2 0.0117 0.2688 0.3394
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0089 0.0068
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0089 0.0068
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1053 0.1301
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0018 0.0278 0.0409
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0018 0.0278 0.0409
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0009 0.0052 0.0013
Plasmodium vivax hypothetical protein, conserved 0.0329 0.7849 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0089 0.0068
Brugia malayi ecdysteroid receptor 0.001 0.0089 0.0068
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0953 0.1173
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0089 0.0068
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0009 0.0052 0.0037
Brugia malayi nuclear hormone receptor 0.001 0.0089 0.0068
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0089 0.0068
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.1226 0.1523
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0218 0.5147 0.896
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0645 0.076
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0018 0.0278 0.0856
Loa Loa (eye worm) hypothetical protein 0.0125 0.2882 0.3642
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0089 0.0074
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0089 0.0074
Brugia malayi MH2 domain containing protein 0.0119 0.2748 0.3471
Trypanosoma brucei hypothetical protein, conserved 0.0117 0.2688 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0953 0.0939
Echinococcus granulosus ring and YY1 binding protein 0.0117 0.2688 0.2676
Schistosoma mansoni ferritin light chain 0.0008 0.0045 0.0029
Loa Loa (eye worm) hypothetical protein 0.0016 0.0223 0.0238
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0009 0.0052 0.0037
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0018 0.0278 0.0409
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0117 0.2688 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Loa Loa (eye worm) hypothetical protein 0.0034 0.0669 0.0809
Schistosoma mansoni thyroid hormone receptor 0.001 0.0089 0.0074
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0496 0.0588
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0089 0.0074
Leishmania major hypothetical protein, conserved 0.0117 0.2688 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0223 0.0238
Schistosoma mansoni glutamate synthase 0.0009 0.0052 0.0037
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0089 0.0074
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0037 0.0021
Schistosoma mansoni zinc finger protein 0.0117 0.2688 0.2676
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0089 0.0074
Leishmania major hypothetical protein, conserved 0.0117 0.2688 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0117 0.2688 1
Echinococcus granulosus Smad4 0.0008 0.0037 0.0021
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0089 0.0048
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0645 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0089 0.0074
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0431 0.0504
Brugia malayi Cytochrome P450 family protein 0.0057 0.1226 0.1523
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0242 0.5739 1
Plasmodium falciparum glutathione reductase 0.0096 0.2165 0.271
Schistosoma mansoni hypothetical protein 0.0117 0.2688 0.2676
Echinococcus granulosus cpg binding protein 0.0031 0.0593 0.0578
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0089 0.0074
Loa Loa (eye worm) hypothetical protein 0.0117 0.2688 0.3394
Loa Loa (eye worm) glutathione reductase 0.0096 0.2165 0.2725
Mycobacterium ulcerans hypothetical protein 0.0009 0.0052 0.0124
Brugia malayi Muscleblind-like protein 0.0149 0.3479 0.4406
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0018 0.0278 0.3884
Plasmodium vivax glutathione reductase, putative 0.0096 0.2165 0.271
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0117 0.2688 0.3394
Loa Loa (eye worm) cytochrome P450 0.0018 0.0278 0.0309
Onchocerca volvulus 0.0117 0.2688 0.338
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0059 0.0029
Schistosoma mansoni hypothetical protein 0.0016 0.0223 0.0207
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0117 0.2688 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0089 0.0068
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0009 0.0052 0.002
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0009 0.0052 0.0037
Echinococcus multilocularis Smad4 0.0008 0.0037 0.0021
Toxoplasma gondii thioredoxin reductase 0.0096 0.2165 0.271
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0089 0.0068
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0669 0.0809
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0645 0.2248
Loa Loa (eye worm) brahma associated protein 0.0329 0.7849 1
Mycobacterium ulcerans dehydrogenase 0.0009 0.0052 0.0124
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0645 0.2248
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Schistosoma mansoni hypothetical protein 0.0329 0.7849 0.7845
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0117 0.2688 0.338
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0223 0.0238
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.2688 1
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0009 0.0052 0.0124
Loa Loa (eye worm) hypothetical protein 0.0117 0.2688 0.3394
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0018 0.0278 0.0409
Schistosoma mansoni coup transcription factor 0.001 0.0089 0.0074
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0645 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0089 0.0074
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0009 0.0052 0.0037
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0018 0.0278 0.0409
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0009 0.0052 0.0124
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0089 0.0074
Onchocerca volvulus 0.001 0.0089 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0018 0.0278 0.0409
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0009 0.0052 0.0067
Schistosoma mansoni hypothetical protein 0.0034 0.0669 0.0654
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0645 0.1053
Schistosoma mansoni sulfide quinone reductase 0.0009 0.0052 0.0037
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0018 0.0278 0.0409
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0089 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0089 0.0068
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0089 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0089 0.0068
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0018 0.0278 0.3884

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6.175 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.281 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
GI50 (functional) -5.044 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) -4.918 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) -4.854 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) -4.839 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) -4.58 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) -4.372 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.314 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) -4.279 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) -4.106 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

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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