Detailed information for compound 511503

Basic information

Technical information
  • TDR Targets ID: 511503
  • Name: (1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1, 3,4-oxadiazol-2-yl]-3-methylbutan-1-amine
  • MW: 327.374 | Formula: C14H18FN3O3S
  • H donors: 1 H acceptors: 4 LogP: 1.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)F)N)C
  • InChi: 1S/C14H18FN3O3S/c1-9(2)7-12(16)13-17-18-14(21-13)22(19,20)8-10-3-5-11(15)6-4-10/h3-6,9,12H,7-8,16H2,1-2H3/t12-/m0/s1
  • InChiKey: OBQXZDOJHLJHCX-LBPRGKRZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-3-methyl-butan-1-amine
  • (1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-3-methyl-1-butanamine
  • [(1S)-1-[5-(4-fluorobenzyl)sulfonyl-1,3,4-oxadiazol-2-yl]-3-methyl-butyl]amine

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
Loa Loa (eye worm) hypothetical protein 0.0026 0.0564 0.0564
Schistosoma mansoni lamin 0.0026 0.0564 0.0765
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.1672 0.1672
Echinococcus multilocularis serotonin transporter 0.0089 0.3435 0.4675
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0024 0.0445 0.0602
Brugia malayi Nuclear hormone receptor family member nhr-14 0.005 0.1672 0.1672
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.005 0.1672 0.2391
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0971 0.132
Brugia malayi steroid hormone receptor 0.005 0.1672 0.1672
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0061 1
Onchocerca volvulus Bile acid receptor homolog 0.005 0.1672 0.4802
Echinococcus granulosus retinoic acid receptor rxr beta a 0.005 0.1672 0.2391
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0063 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.1672 0.1672
Brugia malayi ecdysteroid receptor 0.005 0.1672 0.1672
Brugia malayi Nuclear hormone receptor family member nhr-3 0.005 0.1672 0.1672
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0971 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.005 0.1672 0.2274
Echinococcus granulosus intermediate filament protein 0.0026 0.0564 0.0805
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0445 0.0602
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0564 0.0564
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0043 0.0055
Loa Loa (eye worm) hypothetical protein 0.0015 0.0043 0.0043
Brugia malayi nuclear receptor NHR-88 0.0024 0.0445 0.0445
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0027 0.0576 0.0781
Schistosoma mansoni RAR-like nuclear receptor 0.005 0.1672 0.2274
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0027 0.0576 0.0781
Brugia malayi ecdysone receptor 0.0024 0.0445 0.0445
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0043 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.1672 0.1672
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.2667 0.363
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.0576 0.0576
Schistosoma mansoni hypothetical protein 0.0123 0.5022 0.6837
Echinococcus granulosus thyroid hormone receptor alpha 0.0024 0.0445 0.0633
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0564 0.0564
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0027 0.0576 0.0781
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0063 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.005 0.1672 0.1672
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.3133 0.4484
Brugia malayi Cytochrome P450 family protein 0.0015 0.0063 0.0063
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0043 0.0055
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.005 0.1672 0.1672
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.1672 0.2391
Schistosoma mansoni nuclear receptor nhr-48 0.0024 0.0445 0.0602
Echinococcus granulosus geminin 0.0166 0.6985 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.5022 0.6837
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0024 0.0445 0.0602
Echinococcus granulosus FTZ F1 alpha 0.005 0.1672 0.2391
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0024 0.0445 0.0445
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0015 0.0043 0.0055
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0061 0.008
Brugia malayi Nuclear hormone receptor family member nhr-41 0.005 0.1672 0.1672
Onchocerca volvulus 0.0026 0.0564 0.1538
Onchocerca volvulus 0.005 0.1672 0.4802
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.1672 0.1672
Schistosoma mansoni jun-related protein 0.0067 0.2424 0.3299
Loa Loa (eye worm) hypothetical protein 0.0015 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.005 0.1672 0.1672
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0063 0.0063
Schistosoma mansoni sodium/chloride dependent transporter 0.0089 0.3435 0.4675
Onchocerca volvulus 0.0064 0.2321 0.6715
Loa Loa (eye worm) hypothetical protein 0.0027 0.0576 0.0576
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Schistosoma mansoni hypothetical protein 0.0067 0.2424 0.3299
Schistosoma mansoni coup transcription factor 0.005 0.1672 0.2274
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.005 0.1672 0.2274
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0015 0.0043 0.0058
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.005 0.1672 0.2391
Schistosoma mansoni zinc finger protein 0.0024 0.0445 0.0602
Echinococcus multilocularis sodium and chloride dependent glycine 0.0015 0.0043 0.0055
Echinococcus granulosus serotonin transporter 0.0089 0.3435 0.4916
Brugia malayi Cytochrome P450 family protein 0.0026 0.0528 0.0528
Brugia malayi hypothetical protein 0.0035 0.097 0.097
Schistosoma mansoni retinoic acid receptor RXR 0.005 0.1672 0.2274
Loa Loa (eye worm) hypothetical protein 0.005 0.1672 0.1672
Loa Loa (eye worm) hypothetical protein 0.005 0.1672 0.1672
Schistosoma mansoni sodium/chloride dependent transporter 0.0015 0.0043 0.0055
Schistosoma mansoni hypothetical protein 0.0166 0.6985 0.951
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.0576 0.0576
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0063 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.005 0.1672 0.1672
Loa Loa (eye worm) hypothetical protein 0.0015 0.0043 0.0043
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.3133 0.4264
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0061 0.008
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Brugia malayi Steroid receptor seven-up type 2 0.005 0.1672 0.1672
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0061 0.008
Treponema pallidum sodium- and chloride- dependent transporter 0.0089 0.3435 0.5
Brugia malayi nuclear hormone receptor 0.0024 0.0445 0.0445
Brugia malayi bZIP transcription factor family protein 0.0082 0.3133 0.3133
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0564 0.0564
Schistosoma mansoni retinoid-x-receptor (RXR) 0.005 0.1672 0.2274
Schistosoma mansoni thyroid hormone receptor 0.0173 0.7345 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0089 0.3435 0.3435
Echinococcus granulosus jun protein 0.0082 0.3133 0.4484
Brugia malayi photoreceptor-specific nuclear receptor 0.005 0.1672 0.1672
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.005 0.1672 0.2274
Loa Loa (eye worm) hypothetical protein 0.008 0.3029 0.3029
Echinococcus multilocularis geminin 0.0166 0.6985 0.951
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0061 1
Leishmania major cytochrome p450-like protein 0.0015 0.0063 1
Brugia malayi hypothetical protein 0.0159 0.6703 0.6703
Brugia malayi Nuclear hormone receptor family member nhr-40 0.005 0.1672 0.1672
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0015 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0027 0.0576 0.0576
Brugia malayi tailless protein 0.0024 0.0445 0.0445
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.5022 0.7189
Echinococcus multilocularis thyroid hormone receptor alpha 0.0173 0.7345 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.005 0.1672 0.2274
Loa Loa (eye worm) hypothetical protein 0.0015 0.0043 0.0043
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0166 0.6985 0.951
Schistosoma mansoni thyroid hormone receptor 0.0173 0.7345 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0015 0.0043 0.0058
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0445 0.0602
Echinococcus granulosus sodium and chloride dependent glycine 0.0015 0.0043 0.0058
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0061 0.0061
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0061 1
Entamoeba histolytica hypothetical protein 0.0035 0.097 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0024 0.0445 0.0445
Schistosoma mansoni hypothetical protein 0.0035 0.097 0.1318
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0063 0.0063
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0024 0.0445 0.0602
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0043 0.0055
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0063 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0089 0.3435 0.4675
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0015 0.0043 0.0043
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0061 0.0061
Brugia malayi hypothetical protein 0.0024 0.0445 0.0445
Brugia malayi nuclear receptor NHR-88 0.005 0.1672 0.1672
Schistosoma mansoni intermediate filament proteins 0.0026 0.0564 0.0765
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.1672 0.1672
Loa Loa (eye worm) hypothetical protein 0.0015 0.0043 0.0043
Echinococcus granulosus single minded 2 0.0035 0.0971 0.1388
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.1672 0.1672
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.2667 0.3817
Brugia malayi Nuclear hormone receptor E75 0.0024 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0026 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.097 0.1386
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0043 0.0043
Echinococcus multilocularis lamin 0.0026 0.0564 0.0765
Brugia malayi hypoxia-induced factor 1 0.0147 0.6134 0.6134
Brugia malayi hypothetical protein 0.0027 0.0576 0.0576
Loa Loa (eye worm) hypothetical protein 0.0015 0.0043 0.0043
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0027 0.0576 0.0822
Loa Loa (eye worm) STAT protein 0.0128 0.5276 0.5276
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Loa Loa (eye worm) DR-78 0.0024 0.0445 0.0445
Brugia malayi hypothetical protein 0.0064 0.2321 0.2321
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0024 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0015 0.0043 0.0043
Schistosoma mansoni single-minded 0.0048 0.1541 0.2096
Loa Loa (eye worm) hypoxia-induced factor 1 0.0147 0.6134 0.6134
Onchocerca volvulus 0.0024 0.0445 0.1185
Loa Loa (eye worm) nuclear receptor NHR-67 0.0024 0.0445 0.0445
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0015 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.005 0.1672 0.1672
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.1541 0.2096
Echinococcus multilocularis jun protein 0.0082 0.3133 0.4264
Loa Loa (eye worm) hypothetical protein 0.005 0.1672 0.1672
Schistosoma mansoni steroid hormone receptor ad4bp 0.005 0.1672 0.2274
Brugia malayi STAT protein, DNA binding domain containing protein 0.0128 0.5276 0.5276
Loa Loa (eye worm) hypothetical protein 0.0089 0.3435 0.3435
Brugia malayi isocitrate dehydrogenase 0.0015 0.0061 0.0061
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.1672 0.2274
Brugia malayi Nuclear hormone receptor E75 0.0024 0.0445 0.0445
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0024 0.0445 0.0633
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Brugia malayi nuclear receptor RXR 0.0024 0.0445 0.0445
Brugia malayi Nuclear hormone receptor family member nhr-31 0.005 0.1672 0.1672
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0027 0.0576 0.0576
Brugia malayi hypothetical protein 0.0015 0.0043 0.0043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.005 0.1672 0.1672
Onchocerca volvulus Protein ultraspiracle homolog 0.005 0.1672 0.4802
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0043 0.0055
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Echinococcus granulosus lamin dm0 0.0026 0.0564 0.0805
Brugia malayi PAS domain containing protein 0.0048 0.1541 0.1541
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.1672 0.2274
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0445 0.0633
Loa Loa (eye worm) solute carrier family 6 member 4 0.0089 0.3435 0.3435
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0024 0.0445 0.1185
Brugia malayi Nuclear hormone receptor-like 1 0.005 0.1672 0.1672
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.005 0.1672 0.2391
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.005 0.1672 0.2274
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Brugia malayi Cytochrome P450 family protein 0.0015 0.0063 0.0063
Onchocerca volvulus 0.0026 0.0564 0.1538
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.005 0.1672 0.2274
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0024 0.0445 0.0602
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0015 0.0043 0.0055
Echinococcus granulosus Nuclear hormone receptor HR96 0.0024 0.0445 0.0633
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.005 0.1672 0.2391
Loa Loa (eye worm) steroid hormone receptor 0.005 0.1672 0.1672
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0043 0.0058
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1672 0.1672
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0528 0.0528
Loa Loa (eye worm) hypothetical protein 0.0024 0.0445 0.0445
Schistosoma mansoni Tr4/Tr2 (homologue) 0.005 0.1672 0.2274
Onchocerca volvulus 0.0024 0.0445 0.1185
Brugia malayi hypothetical protein 0.0027 0.0576 0.0576
Echinococcus multilocularis lamin dm0 0.0026 0.0564 0.0765
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0015 0.0043 0.0055
Loa Loa (eye worm) norepinephrine transporter 0.0089 0.3435 0.3435
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0061 0.008
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0061 0.008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0002
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.3435 0.3435
Echinococcus multilocularis FTZ F1 alpha 0.005 0.1672 0.2274
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.005 0.1672 0.1672
Echinococcus granulosus ecdysone induced protein 78C 0.005 0.1672 0.2391
Schistosoma mansoni nuclear receptor 0.0024 0.0445 0.0602
Loa Loa (eye worm) hypothetical protein 0.0027 0.0576 0.0576
Entamoeba histolytica hypothetical protein 0.0035 0.097 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0024 0.0445 0.0445
Schistosoma mansoni lamin 0.0026 0.0564 0.0765
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0971 0.0971
Entamoeba histolytica hypothetical protein 0.0035 0.097 0.5
Echinococcus granulosus lamin 0.0026 0.0564 0.0805
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0043 0.0055
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.005 0.1672 0.2274
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.005 0.1672 0.4802
Schistosoma mansoni sodium-dependent amino acid transporter 0.0015 0.0043 0.0055
Echinococcus granulosus Nuclear hormone receptor HR96 0.0024 0.0445 0.0633
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0061 0.008
Loa Loa (eye worm) hypothetical protein 0.0027 0.0576 0.0576
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.005 0.1672 0.1672
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.005 0.1672 0.2274
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0445 0.0602
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0015 0.0043 0.0055
Onchocerca volvulus 0.0035 0.0971 0.2738
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.005 0.1672 0.1672
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.097 0.1318
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0024 0.0445 0.0602
Loa Loa (eye worm) hypothetical protein 0.005 0.1672 0.1672
Loa Loa (eye worm) hypothetical protein 0.005 0.1672 0.1672
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0043 0.0055
Brugia malayi nuclear hormone receptor 0.005 0.1672 0.1672
Brugia malayi Nuclear hormone receptor family member nhr-49 0.005 0.1672 0.1672
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.005 0.1672 0.1672
Brugia malayi conserved hypotetical protein 0.0024 0.0445 0.0445
Entamoeba histolytica hypothetical protein 0.0035 0.097 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0061 0.0084
Echinococcus multilocularis sodium and chloride dependent glycine 0.0015 0.0043 0.0055
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0015 0.0043 0.5
Brugia malayi hypothetical protein 0.0024 0.0445 0.0445
Brugia malayi orphan nuclear receptor NR2E1 0.0024 0.0445 0.0445
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.097 0.1318
Echinococcus multilocularis musashi 0.0026 0.0564 0.0765
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0024 0.0445 0.0602
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0024 0.0445 0.1185
Brugia malayi nuclear receptor NHR-67 0.0024 0.0445 0.0445
Brugia malayi nuclear hormone receptor family member nhr-6 0.0024 0.0445 0.0445
Loa Loa (eye worm) serotonin transporter b 0.0089 0.3435 0.3435
Echinococcus multilocularis ecdysone induced protein 78C 0.005 0.1672 0.2274
Schistosoma mansoni nuclear receptor 0.0024 0.0445 0.0602
Brugia malayi intermediate filament protein 0.0026 0.0564 0.0564
Echinococcus multilocularis nuclear receptor nhr 48 0.0024 0.0445 0.0602
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0043 0.0058
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.1672 0.2391
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0043 0.0055
Loa Loa (eye worm) hypothetical protein 0.0159 0.6703 0.6703
Loa Loa (eye worm) hypothetical protein 0.0027 0.0576 0.0576
Echinococcus granulosus nuclear receptor nhr 48 0.0024 0.0445 0.0633
Loa Loa (eye worm) hypothetical protein 0.0089 0.3435 0.3435
Echinococcus granulosus sodium and chloride dependent glycine 0.0015 0.0043 0.0058
Onchocerca volvulus 0.0089 0.3435 1
Schistosoma mansoni nuclear hormone receptor 0.005 0.1672 0.2274
Brugia malayi nuclear receptor RXR 0.0027 0.0576 0.0576

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of cruzain (unknown origin) ChEMBL. 18333608
IC50 (binding) Inhibition of cruzain (unknown origin) in presence of 0.01% Triton X-100 ChEMBL. 18333608
IC50 (binding) 0 Inhibition of malate dehydrogenase (unknown origin) in presence of 0.1% Triton X-100 ChEMBL. 18333608
IC50 (binding) 0 Inhibition of cruzain (unknown origin) ChEMBL. 18333608
IC50 (binding) 0 Inhibition of cruzain (unknown origin) in presence of 0.01% Triton X-100 ChEMBL. 18333608
IC50 (binding) = 170 uM Inhibition of chymotrypsin (unknown origin) in presence of 0.1% Triton X-100 ChEMBL. 18333608
IC50 (binding) = 270 uM Inhibition of chymotrypsin (unknown origin) ChEMBL. 18333608
IC50 (binding) = 600 uM Inhibition of beta-lactamase AmpC (unknown origin) ChEMBL. 18333608
IC50 (binding) = 600 uM Inhibition of ChEMBL. 18333608
IC50 (binding) > 600 uM Inhibition of malate dehydrogenase (unknown origin) ChEMBL. 18333608

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

1 literature reference was collected for this gene.

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