Detailed information for compound 1481558

Basic information

Technical information
  • TDR Targets ID: 1481558
  • Name: 4-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino] methyl]-N-phenylbenzamide
  • MW: 404.501 | Formula: C25H28N2O3
  • H donors: 1 H acceptors: 1 LogP: 4.49 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCN(Cc2ccc(cc2)C(=O)Nc2ccccc2)C)ccc1OC
  • InChi: 1S/C25H28N2O3/c1-27(16-15-19-11-14-23(29-2)24(17-19)30-3)18-20-9-12-21(13-10-20)25(28)26-22-7-5-4-6-8-22/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)
  • InChiKey: PVXJNJXYLFZQCI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-N-phenyl-benzamide
  • T5806852

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0602 0.5556 1
Trypanosoma cruzi cysteine protease, putative 0.0322 0.2252 0.2489
Loa Loa (eye worm) hypothetical protein 0.0304 0.204 0.2254
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.016 0.0352 0.039
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0304 0.204 0.2254
Onchocerca volvulus Bile acid receptor homolog 0.0304 0.204 0.3671
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0304 0.204 0.2254
Echinococcus multilocularis thyroid hormone receptor alpha 0.0304 0.204 0.204
Brugia malayi tailless protein 0.0143 0.015 0.0166
Entamoeba histolytica cysteine proteinase 2 0.0322 0.2252 0.4054
Giardia lamblia Cathepsin B precursor 0.0368 0.2799 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0304 0.204 0.2254
Loa Loa (eye worm) hypothetical protein 0.016 0.0352 0.039
Entamoeba histolytica cysteine protease, putative 0.0602 0.5556 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.3304 0.3651
Leishmania major cathepsin L-like protease 0.0602 0.5556 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0411 0.3304 0.3651
Plasmodium vivax vivapain-2 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0602 0.5556 1
Loa Loa (eye worm) cathepsin B 0.0368 0.2799 0.3093
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0368 0.2799 0.3093
Brugia malayi nuclear hormone receptor 0.0143 0.015 0.0166
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0304 0.204 0.2254
Schistosoma mansoni hypothetical protein 0.0205 0.0874 0.0966
Trypanosoma cruzi cysteine peptidase, putative 0.0602 0.5556 0.614
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Brugia malayi Steroid receptor seven-up type 2 0.0304 0.204 0.2254
Brugia malayi cathepsin F-like cysteine proteinase 0.0191 0.0715 0.079
Onchocerca volvulus Cathepsin F homolog 0.0602 0.5556 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0143 0.015 0.0166
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.016 0.0352 0.0352
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0304 0.204 0.2254
Echinococcus multilocularis nuclear receptor nhr 48 0.0143 0.015 0.015
Brugia malayi nuclear receptor NHR-67 0.0143 0.015 0.0166
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0304 0.204 0.2254
Brugia malayi Cathepsin L-like precursor 0.0602 0.5556 0.614
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0304 0.204 0.2254
Schistosoma mansoni cathepsin F (C01 family) 0.0602 0.5556 0.614
Toxoplasma gondii cathepsin CPL 0.0602 0.5556 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0304 0.204 0.2254
Entamoeba histolytica cysteine proteinase, putative 0.0602 0.5556 1
Brugia malayi nuclear receptor RXR 0.016 0.0352 0.039
Onchocerca volvulus 0.0602 0.5556 1
Leishmania major cathepsin L-like protease 0.0602 0.5556 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0602 0.5556 0.614
Leishmania major cathepsin L-like protease 0.0602 0.5556 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0143 0.015 0.015
Schistosoma mansoni coup transcription factor 0.0304 0.204 0.2254
Onchocerca volvulus 0.0602 0.5556 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0602 0.5556 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0322 0.2252 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0322 0.2252 0.4054
Brugia malayi nuclear receptor NHR-88 0.0304 0.204 0.2254
Trypanosoma brucei cysteine peptidase C (CPC) 0.0368 0.2799 0.1653
Loa Loa (eye worm) hypothetical protein 0.0304 0.204 0.2254
Schistosoma mansoni cathepsin F (C01 family) 0.0602 0.5556 0.614
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0143 0.015 0.0166
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0304 0.204 0.2254
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Schistosoma mansoni nuclear receptor nhr-48 0.0143 0.015 0.0166
Echinococcus multilocularis cathepsin b 0.0899 0.9049 0.9049
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0304 0.204 0.2254
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0602 0.5556 1
Echinococcus multilocularis cathepsin b 0.0899 0.9049 0.9049
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Loa Loa (eye worm) hypothetical protein 0.0304 0.204 0.2254
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0304 0.204 0.2254
Echinococcus multilocularis geminin 0.0205 0.0874 0.0874
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0143 0.015 0.015
Trypanosoma cruzi cruzipain precursor, putative 0.0191 0.0715 0.079
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.0322 0.2252 0.2489
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0322 0.2252 0.2489
Echinococcus granulosus Nuclear hormone receptor HR96 0.0143 0.015 0.0166
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0322 0.2252 0.4054
Loa Loa (eye worm) hypothetical protein 0.016 0.0352 0.039
Onchocerca volvulus Protein ultraspiracle homolog 0.0304 0.204 0.3671
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0322 0.2252 0.2489
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0602 0.5556 1
Leishmania major cysteine peptidase A (CPA) 0.0602 0.5556 1
Echinococcus multilocularis cathepsin L 0.0322 0.2252 0.2252
Brugia malayi orphan nuclear receptor NR2E1 0.0143 0.015 0.0166
Schistosoma mansoni cathepsin s 0.0191 0.0715 0.079
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0322 0.2252 0.2489
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0411 0.3304 0.5946
Brugia malayi photoreceptor-specific nuclear receptor 0.0304 0.204 0.2254
Trypanosoma cruzi cysteine peptidase, putative 0.0602 0.5556 0.614
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0602 0.5556 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0602 0.5556 0.5556
Leishmania major cathepsin L-like protease 0.0602 0.5556 1
Loa Loa (eye worm) hypothetical protein 0.016 0.0352 0.039
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0304 0.204 0.2254
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0304 0.204 0.2254
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0899 0.9049 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0143 0.015 0.027
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Brugia malayi hypothetical protein 0.0143 0.015 0.0166
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0304 0.204 0.2254
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Brugia malayi hypothetical protein 0.0143 0.015 0.0166
Plasmodium falciparum cysteine proteinase falcipain 1 0.0322 0.2252 0.4054
Brugia malayi Cathepsin L-like precursor 0.0602 0.5556 0.614
Brugia malayi Cathepsin L-like precursor 0.0602 0.5556 0.614
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0304 0.204 0.2254
Brugia malayi Nuclear hormone receptor-like 1 0.016 0.0352 0.039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0602 0.5556 1
Schistosoma mansoni nuclear receptor 0.0143 0.015 0.0166
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Schistosoma mansoni RAR-like nuclear receptor 0.0304 0.204 0.2254
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0411 0.3304 0.5946
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Brugia malayi nuclear hormone receptor family member odr-7 0.0143 0.015 0.0166
Echinococcus granulosus Nuclear hormone receptor HR96 0.0143 0.015 0.0166
Schistosoma mansoni hypothetical protein 0.0205 0.0874 0.0966
Schistosoma mansoni thyroid hormone receptor 0.0304 0.204 0.2254
Onchocerca volvulus 0.0602 0.5556 1
Echinococcus granulosus ecdysone induced protein 78C 0.0304 0.204 0.2254
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Loa Loa (eye worm) hypothetical protein 0.0411 0.3304 0.3651
Brugia malayi Nuclear hormone receptor-like 1 0.0304 0.204 0.2254
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Plasmodium vivax vivapain-1 0.0322 0.2252 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Trypanosoma cruzi cysteine peptidase, putative 0.0191 0.0715 0.079
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0304 0.204 0.2254
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0602 0.5556 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0304 0.204 0.2254
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0304 0.204 0.2254
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.016 0.0352 0.039
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0304 0.204 0.3671
Brugia malayi nuclear receptor RXR 0.0143 0.015 0.0166
Leishmania major cathepsin L-like protease 0.0602 0.5556 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0899 0.9049 1
Brugia malayi Nuclear hormone receptor E75 0.0143 0.015 0.0166
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Trypanosoma cruzi cruzipain precursor, putative 0.0602 0.5556 0.614
Onchocerca volvulus 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0602 0.5556 1
Loa Loa (eye worm) DR-78 0.0143 0.015 0.0166
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0304 0.204 0.2254
Echinococcus multilocularis cysteine protease 0.0602 0.5556 0.5556
Echinococcus multilocularis cathepsin L cysteine protease 0.0602 0.5556 0.5556
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0304 0.204 0.2254
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0899 0.9049 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0304 0.204 0.2254
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0602 0.5556 1
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Leishmania major cathepsin L-like protease 0.0602 0.5556 1
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0191 0.0715 0.079
Loa Loa (eye worm) ctsf protein 0.0602 0.5556 0.614
Brugia malayi ecdysteroid receptor 0.0304 0.204 0.2254
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0143 0.015 0.0166
Brugia malayi Cathepsin L-like precursor 0.0411 0.3304 0.3651
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0304 0.204 0.2254
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0304 0.204 0.204
Brugia malayi cathepsin B-like cysteine proteinase 0.0899 0.9049 1
Echinococcus granulosus geminin 0.0205 0.0874 0.0966
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0304 0.204 0.2254
Loa Loa (eye worm) hypothetical protein 0.0304 0.204 0.2254
Schistosoma mansoni steroid hormone receptor ad4bp 0.0304 0.204 0.2254
Brugia malayi Cathepsin L-like precursor 0.0602 0.5556 0.614
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0322 0.2252 0.2489
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0143 0.015 0.015
Brugia malayi conserved hypotetical protein 0.0143 0.015 0.0166
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Trypanosoma cruzi cysteine peptidase, putative 0.0602 0.5556 0.614
Echinococcus granulosus cathepsin L cysteine protease 0.0322 0.2252 0.2489
Loa Loa (eye worm) hypothetical protein 0.0899 0.9049 1
Brugia malayi nuclear hormone receptor 0.0304 0.204 0.2254
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0304 0.204 0.2254
Loa Loa (eye worm) hypothetical protein 0.0191 0.0715 0.079
Trypanosoma cruzi cysteine peptidase, putative 0.0322 0.2252 0.2489
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Giardia lamblia Cathepsin B precursor 0.0368 0.2799 1
Schistosoma mansoni retinoic acid receptor RXR 0.0304 0.204 0.2254
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Loa Loa (eye worm) hypothetical protein 0.0304 0.204 0.2254
Onchocerca volvulus 0.0304 0.204 0.3671
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0143 0.015 0.0166
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0304 0.204 0.204
Echinococcus granulosus cathepsin l1 0.0602 0.5556 0.614
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Onchocerca volvulus Cathepsin L homolog 0.0602 0.5556 1
Brugia malayi Cathepsin L-like precursor 0.0602 0.5556 0.614
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.016 0.0352 0.039
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0143 0.015 0.0166
Schistosoma mansoni nuclear hormone receptor 0.0304 0.204 0.2254
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Brugia malayi Cathepsin L-like precursor 0.0191 0.0715 0.079
Toxoplasma gondii cathepsin B 0.0368 0.2799 0.5037
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0602 0.5556 0.614
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0304 0.204 0.2254
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Plasmodium vivax vivapain-3 0.0322 0.2252 0.4054
Echinococcus multilocularis cysteine protease 0.0602 0.5556 0.5556
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0304 0.204 0.2254
Echinococcus granulosus cathepsin L 0.0322 0.2252 0.2489
Loa Loa (eye worm) nuclear receptor NHR-67 0.0143 0.015 0.0166
Giardia lamblia Cathepsin B precursor 0.0368 0.2799 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Onchocerca volvulus Cathepsin L homolog 0.0602 0.5556 1
Echinococcus granulosus cysteine protease 0.0322 0.2252 0.2489
Loa Loa (eye worm) steroid hormone receptor 0.0304 0.204 0.2254
Leishmania major cathepsin L-like protease 0.0602 0.5556 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0304 0.204 0.204
Onchocerca volvulus 0.0602 0.5556 1
Onchocerca volvulus 0.0143 0.015 0.027
Plasmodium vivax vivapain-2 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0143 0.015 0.015
Brugia malayi Papain family cysteine protease containing protein 0.0322 0.2252 0.2489
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Plasmodium vivax unspecified product 0.0322 0.2252 0.4054
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0304 0.204 0.2254
Echinococcus granulosus nuclear receptor nhr 48 0.0143 0.015 0.0166
Brugia malayi hypothetical protein 0.016 0.0352 0.039
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Brugia malayi cathepsin L-like precursor 0.0411 0.3304 0.3651
Loa Loa (eye worm) hypothetical protein 0.0602 0.5556 0.614
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0304 0.204 0.2254
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0304 0.204 0.2254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0304 0.204 0.2254
Onchocerca volvulus 0.0143 0.015 0.027
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Schistosoma mansoni thyroid hormone receptor 0.0304 0.204 0.2254
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0368 0.2799 0.3093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0602 0.5556 1
Brugia malayi Cathepsin L-like precursor 0.0602 0.5556 0.614
Entamoeba histolytica cysteine proteinase, putative 0.0411 0.3304 0.5946
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Loa Loa (eye worm) cysteine protease 0.0602 0.5556 0.614
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0602 0.5556 0.5556
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0602 0.5556 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0143 0.015 0.015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0304 0.204 0.2254
Echinococcus granulosus cathepsin l1 0.0411 0.3304 0.3651
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0143 0.015 0.0166
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0899 0.9049 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0899 0.9049 1
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Loa Loa (eye worm) hypothetical protein 0.016 0.0352 0.039
Schistosoma mansoni retinoid-x-receptor (RXR) 0.016 0.0352 0.039
Entamoeba histolytica cysteine proteinase, putative 0.0322 0.2252 0.4054
Echinococcus granulosus FTZ F1 alpha 0.0304 0.204 0.2254
Loa Loa (eye worm) fibroinase 0.0602 0.5556 0.614
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0143 0.015 0.0166
Schistosoma mansoni zinc finger protein 0.0143 0.015 0.0166
Entamoeba histolytica cysteine proteinase, putative 0.0602 0.5556 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.3304 0.3651
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0602 0.5556 0.5556
Echinococcus granulosus cathepsin b 0.0899 0.9049 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0143 0.015 0.027
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0368 0.2799 0.5037
Plasmodium vivax unspecified product 0.0191 0.0715 0.1287
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0602 0.5556 0.614
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0304 0.204 0.204
Leishmania major cathepsin L-like protease 0.0602 0.5556 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Entamoeba histolytica cysteine proteinase, putative 0.0322 0.2252 0.4054
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Loa Loa (eye worm) hypothetical protein 0.016 0.0352 0.039
Echinococcus multilocularis ecdysone induced protein 78C 0.0304 0.204 0.204
Echinococcus multilocularis FTZ F1 alpha 0.0304 0.204 0.204
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0304 0.204 0.2254
Schistosoma mansoni cathepsin F (C01 family) 0.0411 0.3304 0.3651
Trypanosoma cruzi cysteine proteinase, putative 0.0322 0.2252 0.2489
Brugia malayi steroid hormone receptor 0.0304 0.204 0.2254
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0322 0.2252 0.4054
Schistosoma mansoni nuclear hormone receptor 0.0143 0.015 0.0166
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Brugia malayi Cathepsin L-like cysteine proteinase 0.0411 0.3304 0.3651
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0602 0.5556 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0304 0.204 0.2254
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Entamoeba histolytica cysteine protease, putative 0.0322 0.2252 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0602 0.5556 1
Loa Loa (eye worm) hypothetical protein 0.0304 0.204 0.2254
Loa Loa (eye worm) nuclear hormone receptor 0.0143 0.015 0.0166
Brugia malayi Nuclear hormone receptor E75 0.0143 0.015 0.0166
Loa Loa (eye worm) hypothetical protein 0.0304 0.204 0.2254
Loa Loa (eye worm) hypothetical protein 0.0191 0.0715 0.079
Schistosoma mansoni nuclear receptor 0.0143 0.015 0.0166
Brugia malayi nuclear receptor NHR-88 0.0143 0.015 0.0166
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0602 0.5556 1
Schistosoma mansoni nuclear hormone receptor 0.0143 0.015 0.0166
Brugia malayi ecdysone receptor 0.0143 0.015 0.0166
Entamoeba histolytica cysteine proteinase, putative 0.0322 0.2252 0.4054
Echinococcus granulosus cathepsin L cysteine proteinase 0.0602 0.5556 0.614
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0304 0.204 0.204
Onchocerca volvulus 0.0411 0.3304 0.5946
Onchocerca volvulus 0.0602 0.5556 1
Brugia malayi Cathepsin L-like precursor 0.0411 0.3304 0.3651
Brugia malayi nuclear hormone receptor family member nhr-6 0.0143 0.015 0.0166
Loa Loa (eye worm) hypothetical protein 0.0191 0.0715 0.079
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0304 0.204 0.204
Brugia malayi hypothetical protein 0.016 0.0352 0.039
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Brugia malayi Nuclear hormone receptor-like 1 0.016 0.0352 0.039
Loa Loa (eye worm) hypothetical protein 0.0304 0.204 0.2254
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0191 0.0715 0.079
Brugia malayi Papain family cysteine protease containing protein 0.0602 0.5556 0.614
Loa Loa (eye worm) hypothetical protein 0.0143 0.015 0.0166
Trypanosoma cruzi cysteine peptidase, putative 0.0602 0.5556 0.614
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0322 0.2252 0.2489
Echinococcus granulosus cathepsin b 0.0899 0.9049 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3048 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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