Detailed information for compound 436337

Basic information

Technical information
  • TDR Targets ID: 436337
  • Name: 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfan yl-N-(2,3-dihydro-1,4-benzodioxin-7-yl)acetam ide
  • MW: 405.379 | Formula: C17H13F2N5O3S
  • H donors: 1 H acceptors: 4 LogP: 2.89 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnnn1c1ccc(cc1F)F
  • InChi: 1S/C17H13F2N5O3S/c18-10-1-3-13(12(19)7-10)24-17(21-22-23-24)28-9-16(25)20-11-2-4-14-15(8-11)27-6-5-26-14/h1-4,7-8H,5-6,9H2,(H,20,25)
  • InChiKey: RLMDGOALMZIEJK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[1-(2,4-difluorophenyl)-5-tetrazolyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
  • 2-[[1-(2,4-difluorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-7-yl)ethanamide
  • 2-[[1-(2,4-difluorophenyl)tetrazol-5-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
  • CBKinase1_014370
  • CBKinase1_001970
  • AN-988/14610084
  • A2574/0109804
  • ZINC00693544

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Brugia malayi Nuclear hormone receptor-like 1 0.0439 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0439 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Brugia malayi Cathepsin L-like precursor 0.0026 0.0441 0.0399
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0439 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0439 1 1
Schistosoma mansoni nuclear receptor 0.0207 0.4637 0.4637
Leishmania major cathepsin L-like protease 0.0098 0.2108 1
Loa Loa (eye worm) hypothetical protein 0.0439 1 1
Schistosoma mansoni lipoxygenase 0.0014 0.0168 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0439 1 1
Schistosoma mansoni calcium-activated potassium channel 0.003 0.0533 0.0533
Brugia malayi Papain family cysteine protease containing protein 0.0013 0.0153 0.011
Trypanosoma cruzi cysteine protease, putative 0.0013 0.0153 0.053
Schistosoma mansoni steroid hormone receptor ad4bp 0.0439 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0439 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Echinococcus granulosus cathepsin l1 0.0017 0.0245 0.0093
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0439 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0026 0.0441 0.0292
Loa Loa (eye worm) DR-78 0.0207 0.4637 0.4613
Brugia malayi Cathepsin L-like precursor 0.0026 0.0441 0.0399
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0439 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0439 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0207 0.4637 0.4553
Brugia malayi Cathepsin L-like cysteine proteinase 0.0017 0.0245 0.0202
Trypanosoma cruzi cruzipain precursor, putative 0.0098 0.2108 1
Schistosoma mansoni rab6-interacting 0.0014 0.0168 0.0168
Schistosoma mansoni hypothetical protein 0.0014 0.0168 0.0168
Schistosoma mansoni hypothetical protein 0.003 0.0533 0.0533
Echinococcus multilocularis RUN 0.0014 0.0168 0.0015
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0439 1 1
Loa Loa (eye worm) fibroinase 0.0026 0.0441 0.0399
Echinococcus multilocularis cysteine protease 0.0026 0.0441 0.0292
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0439 1 1
Onchocerca volvulus 0.0026 0.0441 0.0278
Brugia malayi Cathepsin L-like precursor 0.0026 0.0441 0.0399
Echinococcus multilocularis lipoxygenase domain containing protein 0.0014 0.0168 0.0015
Echinococcus granulosus Nuclear hormone receptor HR96 0.0207 0.4637 0.4553
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0207 0.4637 0.4553
Loa Loa (eye worm) hypothetical protein 0.0439 1 1
Entamoeba histolytica cysteine protease, putative 0.0026 0.0441 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0439 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0207 0.4637 0.4553
Loa Loa (eye worm) hypothetical protein 0.001 0.0081 0.0037
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Plasmodium vivax vivapain-2 0.0026 0.0441 1
Brugia malayi Nuclear hormone receptor-like 1 0.0232 0.5211 0.519
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Brugia malayi Cathepsin L-like precursor 0.0026 0.0441 0.0399
Brugia malayi Cathepsin L-like precursor 0.0026 0.0441 0.0399
Onchocerca volvulus Protein ultraspiracle homolog 0.0439 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Brugia malayi hypothetical protein 0.0207 0.4637 0.4613
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0245 0.0245
Brugia malayi Nuclear hormone receptor E75 0.0207 0.4637 0.4613
Loa Loa (eye worm) hypothetical protein 0.0439 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0014 0.0168 0.0015
Loa Loa (eye worm) doublecortin family protein 0.0014 0.0168 0.0124
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0441 0.0441
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0439 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0441 0.0399
Brugia malayi tailless protein 0.0207 0.4637 0.4613
Loa Loa (eye worm) nuclear receptor NHR-67 0.0207 0.4637 0.4613
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0439 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0207 0.4637 0.4637
Loa Loa (eye worm) hypothetical protein 0.0009 0.0057 0.0013
Loa Loa (eye worm) hypothetical protein 0.0439 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0439 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0441 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0439 1 1
Brugia malayi steroid hormone receptor 0.0439 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0026 0.0441 0.0399
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0441 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0439 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0439 1 1
Brugia malayi nuclear receptor RXR 0.0232 0.5211 0.519
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0439 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0207 0.4637 0.4553
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0441 1
Brugia malayi ecdysone receptor 0.0207 0.4637 0.4613
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0441 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Brugia malayi nuclear receptor NHR-88 0.0207 0.4637 0.4613
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0013 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0017 0.0245 0.0202
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0207 0.4637 0.4637
Brugia malayi hypothetical protein 0.0232 0.5211 0.519
Trypanosoma cruzi cysteine proteinase, putative 0.0013 0.0153 0.053
Brugia malayi Nuclear hormone receptor E75 0.0207 0.4637 0.4613
Loa Loa (eye worm) hypothetical protein 0.0439 1 1
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0441 0.0278
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0439 1 1
Toxoplasma gondii cathepsin CPL 0.0026 0.0441 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0245 0.0202
Plasmodium vivax vivapain-2 0.0026 0.0441 1
Loa Loa (eye worm) hypothetical protein 0.0439 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0439 1 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0232 0.5211 0.5211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0439 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0439 1 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0014 0.0168 0.3119
Echinococcus granulosus lipoxygenase domain containing protein 0.0014 0.0168 0.0015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Onchocerca volvulus 0.0207 0.4637 0.4545
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0439 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0013 0.0153 0.053
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0441 0.0292
Loa Loa (eye worm) hypothetical protein 0.001 0.0068 0.0025
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0441 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0168 0.0124
Loa Loa (eye worm) hypothetical protein 0.0232 0.5211 0.519
Echinococcus granulosus Nuclear hormone receptor HR96 0.0207 0.4637 0.4553
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.0441 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Schistosoma mansoni RAR-like nuclear receptor 0.0439 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0439 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0207 0.4637 0.4613
Schistosoma mansoni nuclear receptor nhr-48 0.0207 0.4637 0.4637
Brugia malayi orphan nuclear receptor NR2E1 0.0207 0.4637 0.4613
Schistosoma mansoni coup transcription factor 0.0439 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0439 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0232 0.5211 0.519
Echinococcus multilocularis Polycystic kidney disease protein 0.0014 0.0168 0.0015
Loa Loa (eye worm) hypothetical protein 0.0232 0.5211 0.519
Trypanosoma cruzi cysteine proteinase, putative 0.0013 0.0153 0.053
Schistosoma mansoni nuclear receptor 0.0207 0.4637 0.4637
Plasmodium falciparum cysteine proteinase falcipain 3 0.0026 0.0441 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0039 0.0744 0.06
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0013 0.0153 0.0153
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0441 0.0278
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0441 0.0292
Schistosoma mansoni nuclear hormone receptor 0.0207 0.4637 0.4637
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0441 0.0292
Loa Loa (eye worm) steroid hormone receptor 0.0439 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0439 1 1
Onchocerca volvulus 0.0026 0.0441 0.0278
Echinococcus granulosus small conductance calcium activated potassium 0.003 0.0533 0.0386
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0439 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0439 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0089 0.1912 0.905
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0026 0.0441 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0232 0.5211 0.5136
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0441 0.0399
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Brugia malayi Steroid receptor seven-up type 2 0.0439 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0439 1 1
Onchocerca volvulus 0.0026 0.0441 0.0278
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0441 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0439 1 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.5211 0.519
Brugia malayi conserved hypotetical protein 0.0207 0.4637 0.4613
Loa Loa (eye worm) cysteine protease 0.0026 0.0441 0.0399
Loa Loa (eye worm) ctsf protein 0.0026 0.0441 0.0399
Brugia malayi nuclear receptor NHR-88 0.0439 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0013 0.0153 0.0153
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0207 0.4637 0.4545
Schistosoma mansoni zinc finger protein 0.0207 0.4637 0.4637
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0207 0.4637 0.4553
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.2108 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0077 0.1625 0.7656
Plasmodium falciparum LCCL domain-containing protein 0.0014 0.0168 0.0501
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0439 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0441 0.1924
Schistosoma mansoni thyroid hormone receptor 0.0439 1 1
Brugia malayi nuclear receptor NHR-67 0.0207 0.4637 0.4613
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0207 0.4637 0.4613
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Plasmodium vivax vivapain-3 0.0013 0.0153 0.2757
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0441 0.0441
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0441 1
Schistosoma mansoni cathepsin s 0.0008 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0245 0.3182
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0207 0.4637 0.4613
Brugia malayi nuclear receptor RXR 0.0207 0.4637 0.4613
Plasmodium vivax unspecified product 0.0013 0.0153 0.2757
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Onchocerca volvulus 0.0026 0.0441 0.0278
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0245 0.3182
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0439 1 1
Onchocerca volvulus 0.0017 0.0245 0.0078
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0441 0.0399
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0207 0.4637 0.4553
Brugia malayi nuclear hormone receptor 0.0439 1 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0245 0.0202
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0439 1 1
Echinococcus multilocularis cysteine protease 0.0026 0.0441 0.0292
Echinococcus granulosus RUN 0.0014 0.0168 0.0015
Brugia malayi Cathepsin L-like precursor 0.0026 0.0441 0.0399
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0441 1
Brugia malayi hypothetical protein 0.0014 0.0168 0.0124
Schistosoma mansoni thyroid hormone receptor 0.0439 1 1
Onchocerca volvulus 0.0026 0.0441 0.0278
Echinococcus granulosus nuclear receptor nhr 48 0.0207 0.4637 0.4553
Echinococcus granulosus cathepsin l1 0.0026 0.0441 0.0292
Loa Loa (eye worm) hypothetical protein 0.0017 0.0245 0.0202
Echinococcus granulosus thyroid hormone receptor alpha 0.0207 0.4637 0.4553
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0232 0.5211 0.5211
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0439 1 1
Brugia malayi hypothetical protein 0.0207 0.4637 0.4613
Brugia malayi Doublecortin family protein 0.0014 0.0168 0.0124
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0439 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0533 0.0492
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.0441 1
Schistosoma mansoni polycystin 1-related 0.0014 0.0168 0.0168
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0439 1 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0439 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0098 0.2108 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0245 0.0202
Loa Loa (eye worm) hypothetical protein 0.0232 0.5211 0.519
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0232 0.5211 0.5136
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0439 1 1
Onchocerca volvulus 0.0026 0.0441 0.0278
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0441 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0439 1 1
Echinococcus granulosus FTZ F1 alpha 0.0439 1 1
Loa Loa (eye worm) hypothetical protein 0.0439 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0439 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0168 0.0124
Schistosoma mansoni lipoxygenase 0.0039 0.0744 0.0744
Brugia malayi Papain family cysteine protease containing protein 0.0013 0.0153 0.011
Echinococcus multilocularis thyroid hormone receptor alpha 0.0439 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.2108 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Brugia malayi nuclear hormone receptor 0.0207 0.4637 0.4613
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0439 1 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.4637 0.4613
Onchocerca volvulus Cathepsin F homolog 0.0026 0.0441 0.0278
Schistosoma mansoni calcium-activated potassium channel 0.0019 0.029 0.029
Leishmania major cathepsin L-like protease 0.0098 0.2108 1
Loa Loa (eye worm) nuclear hormone receptor 0.0207 0.4637 0.4613
Schistosoma mansoni loxhd1 0.0014 0.0168 0.0168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0441 1
Echinococcus multilocularis small conductance calcium activated potassium 0.003 0.0533 0.0386
Loa Loa (eye worm) hypothetical protein 0.0232 0.5211 0.519
Leishmania major cathepsin L-like protease 0.0098 0.2108 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0441 0.0292
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0026 0.0441 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0439 1 1
Schistosoma mansoni rab6-interacting 0.0014 0.0168 0.0168
Trypanosoma cruzi cysteine peptidase, putative 0.0013 0.0153 0.053
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0039 0.0744 0.06
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0439 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0441 1
Onchocerca volvulus 0.0207 0.4637 0.4545
Brugia malayi nuclear hormone receptor family member nhr-6 0.0207 0.4637 0.4613
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0245 0.3182
Schistosoma mansoni nuclear hormone receptor 0.0439 1 1
Onchocerca volvulus 0.0026 0.0441 0.0278
Brugia malayi cathepsin L-like precursor 0.0017 0.0245 0.0202
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0207 0.4637 0.4553
Brugia malayi hypothetical protein 0.0232 0.5211 0.519
Trypanosoma cruzi cysteine peptidase, putative 0.0098 0.2108 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0439 1 1
Onchocerca volvulus 0.0439 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0207 0.4637 0.4545
Brugia malayi hypothetical protein 0.0014 0.0168 0.0124
Echinococcus granulosus Polycystic kidney disease protein 0.0014 0.0168 0.0015
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0232 0.5211 0.519
Echinococcus granulosus cathepsin L cysteine proteinase 0.0026 0.0441 0.0292
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0207 0.4637 0.4553
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0441 1
Loa Loa (eye worm) hypothetical protein 0.0439 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0439 1 1
Plasmodium vivax vivapain-1 0.0013 0.0153 0.2757
Schistosoma mansoni nuclear hormone receptor 0.0207 0.4637 0.4637
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0439 1 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0014 0.0168 0.0015

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.4 uM Inhibition of Hsp90-dependent luciferase renaturation in rabbit reticulocyte after 30 mins by luciferase refolding assay ChEMBL. 17223347
IC50 (functional) > 100 uM Antiproliferative activity against MCF7 cells after 72 hrs ChEMBL. 17223347
IC50 (functional) > 100 uM Antiproliferative activity against SkBr3 cells after 72 hrs ChEMBL. 17223347
IC50 (functional) > 100 uM Induction of Hsp90-dependent Her2 protein degradation in Skbr3 cells after 24 hrs by ELISA ChEMBL. 17223347
IC50 (functional) > 100 uM Antiproliferative activity against MCF7 cells after 72 hrs ChEMBL. 17223347
IC50 (functional) > 100 uM Antiproliferative activity against SkBr3 cells after 72 hrs ChEMBL. 17223347
IC50 (functional) > 100 uM Induction of Hsp90-dependent Her2 protein degradation in Skbr3 cells after 24 hrs by ELISA ChEMBL. 17223347

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.