Detailed information for compound 1007103

Basic information

Technical information
  • TDR Targets ID: 1007103
  • Name: 1-(tert-butylamino)-3-dibenzofuran-1-yloxypro pan-2-ol
  • MW: 313.391 | Formula: C19H23NO3
  • H donors: 2 H acceptors: 1 LogP: 3.57 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(COc1cccc2c1c1ccccc1o2)CNC(C)(C)C
  • InChi: 1S/C19H23NO3/c1-19(2,3)20-11-13(21)12-22-16-9-6-10-17-18(16)14-7-4-5-8-15(14)23-17/h4-10,13,20-21H,11-12H2,1-3H3
  • InChiKey: HGDYQUMVUUMEFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(tert-butylamino)-3-dibenzofuran-1-yloxy-propan-2-ol
  • 1-(tert-butylamino)-3-(1-dibenzofuranyloxy)propan-2-ol
  • Oprea1_089499
  • Oprea1_332906

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL References

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) carbonic anhydrase 3 0.0128403 0.2311 0.355676
Giardia lamblia Cathepsin L precursor 0.0024774 0.011599 0.0274552
Entamoeba histolytica cysteine protease, putative 0.00795109 0.12754 0.301891
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00469647 0.0586021 0.138713
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024774 0.011599 0.0274552
Echinococcus granulosus cathepsin L cysteine protease 0.00469647 0.0586021 0.090192
Plasmodium falciparum serine repeat antigen 7 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.021875 0.42247 0.650206
Echinococcus multilocularis cysteine protease 0.00795109 0.12754 0.196291
Brugia malayi cathepsin B-like cysteine proteinase 0.0326051 0.649748 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.021875 0.42247 0.650206
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024774 0.011599 0.0274552
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0071123 0.109773 0.168947
Loa Loa (eye worm) hypothetical protein 0.00570492 0.0799626 0.123067
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.00795109 0.12754 0.301891
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Echinococcus multilocularis fk506 binding protein 0.021875 0.42247 0.650206
Onchocerca volvulus Cathepsin L homolog 0.00795109 0.12754 1
Entamoeba histolytica cysteine protease, putative 0.0024774 0.011599 0.0274552
Entamoeba histolytica cysteine proteinase, putative 0.00469647 0.0586021 0.138713
Echinococcus multilocularis cathepsin L 0.00469647 0.0586021 0.090192
Echinococcus multilocularis cathepsin L 0.0024774 0.011599 0.0178516
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00469647 0.0586021 0.138713
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0024774 0.011599 0.0274552
Brugia malayi calpain family protein 1 0.00696045 0.106557 0.163997
Plasmodium falciparum cysteine proteinase falcipain 2a 0.00795109 0.12754 0.301891
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0199453 0.381594 0.587295
Plasmodium vivax vivapain-3 0.00469647 0.0586021 0.138713
Giardia lamblia Cathepsin B precursor 0.0024774 0.011599 0.0274552
Trypanosoma cruzi cysteine peptidase, putative 0.00221906 0.00612701 0.00942982
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.00795109 0.12754 0.301891
Trichomonas vaginalis conserved hypothetical protein 0.0024774 0.011599 0.0274552
Schistosoma mansoni immunophilin 0.021875 0.42247 0.650206
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.021875 0.42247 0.42247
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0128403 0.2311 0.355676
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0024774 0.011599 0.0178516
Plasmodium falciparum serine repeat antigen 8 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) hypothetical protein 0.0024774 0.011599 0.0178516
Leishmania major cathepsin L-like protease 0.00795109 0.12754 0.301891
Giardia lamblia Cathepsin L precursor 0.0024774 0.011599 0.0274552
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0024774 0.011599 0.0274552
Echinococcus multilocularis carbonic anhydrase 0.00292731 0.0211288 0.0325185
Brugia malayi Cathepsin L-like precursor 0.00795109 0.12754 0.196291
Loa Loa (eye worm) hypothetical protein 0.0024774 0.011599 0.0178516
Entamoeba histolytica cysteine protease, putative 0.0024774 0.011599 0.0274552
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.021875 0.42247 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0326051 0.649748 1
Loa Loa (eye worm) calpain 0.00315486 0.0259485 0.0399363
Giardia lamblia Hypothetical protein 0.0024774 0.011599 0.0274552
Echinococcus granulosus calpain A 0.0071123 0.109773 0.168947
Loa Loa (eye worm) hypothetical protein 0.00506112 0.066326 0.10208
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Plasmodium falciparum cysteine proteinase falcipain 2b 0.00795109 0.12754 0.301891
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0148644 0.273975 0.421663
Entamoeba histolytica cysteine proteinase, putative 0.00795109 0.12754 0.301891
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Giardia lamblia Cathepsin L precursor 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) cysteine protease 0.00795109 0.12754 0.196291
Brugia malayi Cathepsin L-like precursor 0.00221906 0.00612701 0.00942982
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00573203 0.0805369 0.190633
Loa Loa (eye worm) ctsf protein 0.00795109 0.12754 0.196291
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0128403 0.2311 0.355676
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024774 0.011599 0.0274552
Onchocerca volvulus 0.00795109 0.12754 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Trypanosoma cruzi cysteine peptidase, putative 0.00795109 0.12754 0.196291
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.00292731 0.0211288 0.0325185
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0024774 0.011599 0.0178516
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Loa Loa (eye worm) hypothetical protein 0.00292731 0.0211288 0.0325185
Plasmodium falciparum serine repeat antigen 4 0.0024774 0.011599 0.0274552
Schistosoma mansoni carbonic anhydrase-related 0.00292731 0.0211288 0.0325185
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0024774 0.011599 0.0274552
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.00795109 0.12754 0.301891
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0148644 0.273975 0.421663
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.00315486 0.0259485 0.061421
Plasmodium falciparum serine repeat antigen 9 0.0024774 0.011599 0.0274552
Plasmodium falciparum serine repeat antigen 2 0.0024774 0.011599 0.0274552
Brugia malayi Cathepsin L-like precursor 0.00573203 0.0805369 0.123951
Onchocerca volvulus 0.00795109 0.12754 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0024774 0.011599 0.0178516
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.021875 0.42247 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.021875 0.42247 0.650206
Brugia malayi Papain family cysteine protease containing protein 0.00469647 0.0586021 0.090192
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00469647 0.0586021 0.138713
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.00795109 0.12754 0.301891
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0024774 0.011599 0.0274552
Schistosoma mansoni cathepsin s 0.00221906 0.00612701 0.00942982
Entamoeba histolytica cysteine protease, putative 0.0024774 0.011599 0.0274552
Entamoeba histolytica hypothetical protein 0.0024774 0.011599 0.0274552
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0024774 0.011599 0.0274552
Giardia lamblia Cysteine protease 0.0024774 0.011599 0.0274552
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.00292731 0.0211288 0.0325185
Trypanosoma brucei cysteine peptidase C (CPC) 0.0148644 0.273975 0.648506
Trichomonas vaginalis fk506-binding protein, putative 0.021875 0.42247 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.00696045 0.106557 0.163997
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0024774 0.011599 0.0274552
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.021875 0.42247 1
Loa Loa (eye worm) hypothetical protein 0.00573203 0.0805369 0.123951
Trypanosoma cruzi calpain cysteine peptidase, putative 0.00315486 0.0259485 0.0399363
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0024774 0.011599 0.0274552
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Loa Loa (eye worm) hypothetical protein 0.00573203 0.0805369 0.123951
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.021875 0.42247 0.650206
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024774 0.011599 0.0274552
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0019298 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.021875 0.42247 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.021875 0.42247 1
Giardia lamblia Cathepsin L precursor 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) hypothetical protein 0.0024774 0.011599 0.0178516
Echinococcus multilocularis calpain family protein 1, d 0.00506112 0.066326 0.10208
Loa Loa (eye worm) hypothetical protein 0.0024774 0.011599 0.0178516
Schistosoma mansoni immunophilin 0.0199453 0.381594 0.587295
Trypanosoma cruzi cysteine peptidase, putative 0.00469647 0.0586021 0.090192
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0071123 0.109773 0.168947
Echinococcus granulosus calpain 7 C02 family 0.00315486 0.0259485 0.0399363
Schistosoma mansoni Mername-AA248 (C02 family) 0.00315486 0.0259485 0.0399363
Loa Loa (eye worm) hypothetical protein 0.00221906 0.00612701 0.00942982
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0326051 0.649748 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0128403 0.2311 0.355676
Loa Loa (eye worm) papain family cysteine protease containing protein 0.00221906 0.00612701 0.00942982
Echinococcus granulosus cathepsin l1 0.00573203 0.0805369 0.123951
Echinococcus granulosus cysteine protease 0.00469647 0.0586021 0.090192
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.00469647 0.0586021 0.090192
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0024774 0.011599 0.0178516
Trichomonas vaginalis conserved hypothetical protein 0.0024774 0.011599 0.0274552
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0024774 0.011599 0.0178516
Leishmania major cathepsin L-like protease 0.00795109 0.12754 0.301891
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.00469647 0.0586021 0.090192
Giardia lamblia Cathepsin B precursor 0.0024774 0.011599 0.0274552
Echinococcus granulosus cathepsin L cysteine proteinase 0.00795109 0.12754 0.196291
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0024774 0.011599 0.0274552
Plasmodium vivax unspecified product 0.0024774 0.011599 0.0274552
Onchocerca volvulus Cathepsin F homolog 0.00795109 0.12754 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.00315486 0.0259485 0.0399363
Brugia malayi cathepsin Z-like cysteine proteinase 0.0024774 0.011599 0.0178516
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0024774 0.011599 0.0274552
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.00315486 0.0259485 0.0399363
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.00315486 0.0259485 0.061421
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0024774 0.011599 0.0178516
Brugia malayi calpain family protein 1 0.00696045 0.106557 0.163997
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) hypothetical protein 0.0326051 0.649748 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.00315486 0.0259485 0.0399363
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Giardia lamblia Cysteine protease 0.0024774 0.011599 0.0274552
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0024774 0.011599 0.0274552
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0019298 0 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.00795109 0.12754 0.196291
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) hypothetical protein 0.00292731 0.0211288 0.0325185
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Trypanosoma cruzi cysteine proteinase, putative 0.00469647 0.0586021 0.090192
Trypanosoma brucei calpain-like protein, putative 0.00315486 0.0259485 0.061421
Schistosoma mansoni cathepsin F (C01 family) 0.00795109 0.12754 0.196291
Schistosoma mansoni carbonic anhydrase-related 0.00292731 0.0211288 0.0325185
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.00292731 0.0211288 0.0325185
Entamoeba histolytica cysteine protease, putative 0.0024774 0.011599 0.0274552
Plasmodium falciparum cysteine proteinase falcipain 3 0.00795109 0.12754 0.301891
Brugia malayi Cathepsin L-like precursor 0.00795109 0.12754 0.196291
Brugia malayi Cathepsin L-like cysteine proteinase 0.00573203 0.0805369 0.123951
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Plasmodium vivax vivapain-2 0.00795109 0.12754 0.301891
Trypanosoma cruzi major cysteine proteinase, putative 0.0024774 0.011599 0.0178516
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0128403 0.2311 0.355676
Trypanosoma brucei antigen, putative 0.00315486 0.0259485 0.061421
Echinococcus multilocularis cathepsin l cysteine peptidase 0.00795109 0.12754 0.196291
Leishmania major cathepsin L-like protease 0.00795109 0.12754 0.301891
Loa Loa (eye worm) hypothetical protein 0.0199453 0.381594 0.587295
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0024774 0.011599 0.0274552
Brugia malayi Cathepsin L-like precursor 0.00795109 0.12754 0.196291
Brugia malayi cathepsin L precursor 0.0024774 0.011599 0.0178516
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.00795109 0.12754 0.301891
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.021875 0.42247 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0128403 0.2311 0.355676
Plasmodium falciparum carbonic anhydrase 0.00292731 0.0211288 0.0500126
Plasmodium vivax serine-repeat antigen (SERA) 0.0024774 0.011599 0.0274552
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Trypanosoma cruzi cysteine peptidase, putative 0.00795109 0.12754 0.196291
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.00315486 0.0259485 0.061421
Echinococcus multilocularis cathepsin L cysteine protease 0.00795109 0.12754 0.196291
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0128403 0.2311 0.355676
Giardia lamblia Cathepsin B precursor 0.0024774 0.011599 0.0274552
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.00315486 0.0259485 0.0399363
Schistosoma mansoni calpain-7 (C02 family) 0.00315486 0.0259485 0.0399363
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0148644 0.273975 0.648506
Entamoeba histolytica cysteine proteinase, putative 0.00795109 0.12754 0.301891
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.00573203 0.0805369 0.123951
Leishmania major cathepsin L-like protease 0.00795109 0.12754 0.301891
Giardia lamblia Cathepsin L-like protease 0.0024774 0.011599 0.0274552
Onchocerca volvulus Cathepsin L homolog 0.00795109 0.12754 1
Entamoeba histolytica cysteine proteinase, putative 0.00469647 0.0586021 0.138713
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0024774 0.011599 0.0274552
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0071123 0.109773 0.168947
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Echinococcus granulosus carbonic anhydrase II 0.0128403 0.2311 0.355676
Leishmania major fk506-binding protein 1-like protein 0.021875 0.42247 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0128403 0.2311 0.547021
Onchocerca volvulus 0.00795109 0.12754 1
Onchocerca volvulus 0.0024774 0.011599 0.0909441
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0019298 0 0.5
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.00469647 0.0586021 0.090192
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0024774 0.011599 0.0178516
Schistosoma mansoni cathepsin F (C01 family) 0.00795109 0.12754 0.196291
Echinococcus multilocularis calpain A 0.0071123 0.109773 0.168947
Loa Loa (eye worm) calpain family protein 1 0.00506112 0.066326 0.10208
Entamoeba histolytica cysteine proteinase, putative 0.00469647 0.0586021 0.138713
Echinococcus multilocularis calpain 7 (C02 family) 0.00315486 0.0259485 0.0399363
Brugia malayi cathepsin F-like cysteine proteinase 0.0024774 0.011599 0.0178516
Onchocerca volvulus 0.00573203 0.0805369 0.631464
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.00795109 0.12754 0.301891
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Leishmania major cysteine peptidase A (CPA) 0.00795109 0.12754 0.301891
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0024774 0.011599 0.0178516
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.00292731 0.0211288 0.0325185
Onchocerca volvulus 0.00795109 0.12754 1
Plasmodium falciparum serine repeat antigen 5 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) hypothetical protein 0.00573203 0.0805369 0.123951
Brugia malayi Cathepsin L-like precursor 0.00795109 0.12754 0.196291
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.021875 0.42247 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0019298 0 0.5
Schistosoma mansoni calpain (C02 family) 0.00315486 0.0259485 0.0399363
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.021875 0.42247 0.650206
Loa Loa (eye worm) hypothetical protein 0.0024774 0.011599 0.0178516
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0024774 0.011599 0.0274552
Entamoeba histolytica cysteine protease, putative 0.0024774 0.011599 0.0274552
Giardia lamblia Encystation-specific protease 0.0024774 0.011599 0.0274552
Plasmodium vivax vivapain-1 0.00469647 0.0586021 0.138713
Loa Loa (eye worm) calpain family protein 1 0.00696045 0.106557 0.163997
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.00315486 0.0259485 0.0399363
Giardia lamblia Hypothetical protein 0.0024774 0.011599 0.0274552
Brugia malayi Papain family cysteine protease containing protein 0.00469647 0.0586021 0.090192
Echinococcus granulosus carbonic anhydrase 0.00292731 0.0211288 0.0325185
Echinococcus granulosus cathepsin L 0.0024774 0.011599 0.0178516
Trypanosoma brucei calpain-like protein, putative 0.00315486 0.0259485 0.061421
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024774 0.011599 0.0274552
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Schistosoma mansoni cathepsin F (C01 family) 0.00573203 0.0805369 0.123951
Echinococcus granulosus cathepsin l1 0.00795109 0.12754 0.196291
Loa Loa (eye worm) hypothetical protein 0.00380559 0.039732 0.0611498
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.00315486 0.0259485 0.061421
Loa Loa (eye worm) hypothetical protein 0.00696045 0.106557 0.163997
Trypanosoma brucei calpain-like protein, putative 0.00315486 0.0259485 0.061421
Echinococcus granulosus calpain 0.00315486 0.0259485 0.0399363
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.00795109 0.12754 0.301891
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Mycobacterium ulcerans short chain dehydrogenase 0.0491408 1 1
Leishmania major cathepsin L-like protease 0.00795109 0.12754 0.301891
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0024774 0.011599 0.0274552
Onchocerca volvulus Cathepsin L homolog 0.0024774 0.011599 0.0909441
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0024774 0.011599 0.0274552
Giardia lamblia Cathepsin L-like protease 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) hypothetical protein 0.00221906 0.00612701 0.00942982
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0148644 0.273975 0.648506
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0024774 0.011599 0.0274552
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.021875 0.42247 0.650206
Echinococcus granulosus carbonic anhydrase 0.00292731 0.0211288 0.0325185
Echinococcus multilocularis hypothetical protein 0.00315486 0.0259485 0.0399363
Giardia lamblia Cathepsin B precursor 0.0148644 0.273975 0.648506
Echinococcus granulosus cathepsin b 0.0326051 0.649748 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0024774 0.011599 0.0178516
Loa Loa (eye worm) hypothetical protein 0.00292731 0.0211288 0.0325185
Schistosoma mansoni carbonic anhydrase 0.00292731 0.0211288 0.0325185
Giardia lamblia Cathepsin B precursor 0.0148644 0.273975 0.648506
Trypanosoma cruzi cysteine peptidase, putative 0.00795109 0.12754 0.196291
Echinococcus multilocularis carbonic anhydrase 0.00292731 0.0211288 0.0325185
Schistosoma mansoni carbonic anhydrase-related 0.00292731 0.0211288 0.0325185
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024774 0.011599 0.0274552
Giardia lamblia Cysteine protease 0.0024774 0.011599 0.0274552
Giardia lamblia Cathepsin B precursor 0.0024774 0.011599 0.0274552
Brugia malayi cathepsin L-like cysteine proteinase 0.0024774 0.011599 0.0178516
Echinococcus granulosus calpain A 0.00315486 0.0259485 0.0399363
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.00315486 0.0259485 0.061421
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.021875 0.42247 0.650206
Schistosoma mansoni cathepsin C 0.0024774 0.011599 0.0178516
Entamoeba histolytica cysteine proteinase 1, putative 0.00469647 0.0586021 0.138713
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0024774 0.011599 0.0274552
Echinococcus multilocularis cathepsin b 0.0326051 0.649748 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0326051 0.649748 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00469647 0.0586021 0.138713
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0024774 0.011599 0.0274552
Plasmodium falciparum cysteine proteinase falcipain 1 0.00469647 0.0586021 0.138713
Schistosoma mansoni hypothetical protein 0.00292731 0.0211288 0.0325185
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0128403 0.2311 0.355676
Leishmania major peptidylprolyl isomerase-like protein 0.021875 0.42247 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Brugia malayi Papain family cysteine protease containing protein 0.0024774 0.011599 0.0178516
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0024774 0.011599 0.0274552
Schistosoma mansoni immunophilin 0.021875 0.42247 0.650206
Onchocerca volvulus 0.00380559 0.039732 0.311525
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0024774 0.011599 0.0178516
Trichomonas vaginalis immunophilin, putative 0.021875 0.42247 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.021875 0.42247 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0024774 0.011599 0.0274552
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.00315486 0.0259485 0.0399363
Echinococcus multilocularis calpain 0.00315486 0.0259485 0.0399363
Plasmodium vivax vivapain-2 0.00795109 0.12754 0.301891
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0024774 0.011599 0.0274552
Trypanosoma cruzi major cysteine proteinase, putative 0.0024774 0.011599 0.0178516
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.021875 0.42247 0.650206
Giardia lamblia Cathepsin L precursor 0.0024774 0.011599 0.0274552
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0024774 0.011599 0.0274552
Echinococcus multilocularis cathepsin b 0.0326051 0.649748 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.00795109 0.12754 0.301891
Loa Loa (eye worm) hypothetical protein 0.0024774 0.011599 0.0178516
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0071123 0.109773 0.168947
Trypanosoma cruzi cruzipain precursor, putative 0.00221906 0.00612701 0.00942982
Plasmodium vivax serine-repeat antigen (SERA) 0.0024774 0.011599 0.0274552
Leishmania major carbonic anhydrase-like protein 0.0128403 0.2311 0.547021
Toxoplasma gondii cathepsin CPC1 0.0024774 0.011599 0.0423361
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.021875 0.42247 0.650206
Trypanosoma cruzi cruzipain precursor, putative 0.00795109 0.12754 0.196291
Toxoplasma gondii hypothetical protein 0.00292731 0.0211288 0.0771197
Toxoplasma gondii cathepsin B 0.0148644 0.273975 1
Onchocerca volvulus 0.00795109 0.12754 1
Trypanosoma cruzi cysteine proteinase, putative 0.00469647 0.0586021 0.090192
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0199453 0.381594 0.587295
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.00292731 0.0211288 0.0325185
Echinococcus multilocularis cysteine protease 0.00795109 0.12754 0.196291
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.021875 0.42247 0.650206
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Schistosoma mansoni calpain C (C02 family) 0.00315486 0.0259485 0.0399363
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0326051 0.649748 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0491408 1 1
Plasmodium falciparum serine repeat antigen 3 0.0024774 0.011599 0.0274552
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Trypanosoma cruzi cysteine protease, putative 0.00469647 0.0586021 0.090192
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.021875 0.42247 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0326051 0.649748 1
Onchocerca volvulus 0.00795109 0.12754 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.00469647 0.0586021 0.090192
Trypanosoma cruzi cysteine peptidase, putative 0.00795109 0.12754 0.196291
Trypanosoma brucei calpain-like protein, putative 0.00315486 0.0259485 0.061421
Brugia malayi Cathepsin L-like precursor 0.00795109 0.12754 0.196291
Brugia malayi Cathepsin L-like precursor 0.00795109 0.12754 0.196291
Brugia malayi cathepsin L-like precursor 0.00573203 0.0805369 0.123951
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Echinococcus multilocularis carbonic anhydrase II 0.0128403 0.2311 0.355676
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Loa Loa (eye worm) fibroinase 0.00795109 0.12754 0.196291
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Loa Loa (eye worm) FKBP5 protein 0.021875 0.42247 0.650206
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.00795109 0.12754 0.301891
Schistosoma mansoni cathepsin B (C01 family) 0.0024774 0.011599 0.0178516
Schistosoma mansoni cathepsin S (C01 family) 0.0024774 0.011599 0.0178516
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.00221906 0.00612701 0.00942982
Brugia malayi calpain 7 0.00315486 0.0259485 0.0399363
Schistosoma mansoni calpain-7 (C02 family) 0.00315486 0.0259485 0.0399363
Plasmodium vivax unspecified product 0.00469647 0.0586021 0.138713
Leishmania major cathepsin L-like protease 0.00795109 0.12754 0.301891
Brugia malayi fibroinase precursor 0.0024774 0.011599 0.0178516
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.021875 0.42247 0.650206
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Echinococcus multilocularis calpain 5 0.00315486 0.0259485 0.0399363
Brugia malayi cathepsin F-like cysteine proteinase 0.00221906 0.00612701 0.00942982
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.00795109 0.12754 0.301891
Plasmodium vivax calpain, putative 0.00315486 0.0259485 0.061421
Brugia malayi Papain family cysteine protease containing protein 0.00795109 0.12754 0.196291
Brugia malayi Cathepsin L-like precursor 0.00573203 0.0805369 0.123951
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) hypothetical protein 0.00795109 0.12754 0.196291
Giardia lamblia Cathepsin L precursor 0.0024774 0.011599 0.0274552
Brugia malayi cathepsin Z-like cysteine proteinase 0.0024774 0.011599 0.0178516
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.021875 0.42247 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0024774 0.011599 0.0178516
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0024774 0.011599 0.0274552
Plasmodium vivax unspecified product 0.00221906 0.00612701 0.0145028
Echinococcus granulosus cathepsin b 0.0326051 0.649748 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.00292731 0.0211288 0.0325185
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0024774 0.011599 0.0178516
Entamoeba histolytica cysteine protease, putative 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) papain family cysteine protease containing protein 0.00795109 0.12754 0.196291
Giardia lamblia Cysteine protease 0.0024774 0.011599 0.0274552
Entamoeba histolytica cysteine proteinase, putative 0.00469647 0.0586021 0.138713
Leishmania major cathepsin L-like protease 0.00795109 0.12754 0.301891
Loa Loa (eye worm) cathepsin B 0.0148644 0.273975 0.421663
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.021875 0.42247 1
Entamoeba histolytica cysteine protease, putative 0.00469647 0.0586021 0.138713
Giardia lamblia Cathepsin B precursor 0.0024774 0.011599 0.0274552
Brugia malayi Papain family cysteine protease containing protein 0.0024774 0.011599 0.0178516
Toxoplasma gondii preprocathepsin c precursor, putative 0.0024774 0.011599 0.0423361
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.00315486 0.0259485 0.0399363
Entamoeba histolytica cysteine proteinase 2 0.00469647 0.0586021 0.138713
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.00795109 0.12754 0.196291
Giardia lamblia Cathepsin B precursor 0.0148644 0.273975 0.648506
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0024774 0.011599 0.0178516
Leishmania major cathepsin L-like protease 0.00795109 0.12754 0.301891
Toxoplasma gondii cathepsin CPC2 0.0024774 0.011599 0.0423361
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00795109 0.12754 0.301891
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0024774 0.011599 0.0274552
Echinococcus multilocularis carbonic anhydrase 0.00292731 0.0211288 0.0325185
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.00573203 0.0805369 0.190633
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Entamoeba histolytica cysteine proteinase, putative 0.00573203 0.0805369 0.190633
Echinococcus granulosus cathepsin L 0.00469647 0.0586021 0.090192
Echinococcus granulosus calpain 5 0.00315486 0.0259485 0.0399363
Echinococcus multilocularis cathepsin l cysteine peptidase 0.00795109 0.12754 0.196291
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0024774 0.011599 0.0274552
Brugia malayi Papain family cysteine protease containing protein 0.0024774 0.011599 0.0178516
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0024774 0.011599 0.0274552
Loa Loa (eye worm) hypothetical protein 0.00221906 0.00612701 0.00942982
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.00795109 0.12754 0.301891
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.00795109 0.12754 0.301891
Plasmodium falciparum serine repeat antigen 6 0.0024774 0.011599 0.0274552
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0024774 0.011599 0.0274552
Echinococcus multilocularis cathepsin L cysteine protease 0.00795109 0.12754 0.196291
Toxoplasma gondii cathepsin CPL 0.00795109 0.12754 0.465518
Echinococcus granulosus carbonic anhydrase 0.00292731 0.0211288 0.0325185
Onchocerca volvulus 0.00795109 0.12754 1
Plasmodium falciparum serine repeat antigen 1 0.0024774 0.011599 0.0274552
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.00315486 0.0259485 0.0399363
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.00315486 0.0259485 0.0399363

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 > 10 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.653 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) > 1.25 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
Ki (binding) = 0.145 nM Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter ChEMBL. 18829308

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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

1 literature reference was collected for this gene.

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