Detailed information for compound 1524521

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.547 | Formula: C25H32N4O3
  • H donors: 3 H acceptors: 3 LogP: 2.62 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1CC(=O)NCCCc2n(c3cc(N1)c(cc3)C(=O)N)c1CC(C)(C)CC(=O)c1c2C
  • InChi: 1S/C25H32N4O3/c1-14-10-22(31)27-9-5-6-19-15(2)23-20(12-25(3,4)13-21(23)30)29(19)16-7-8-17(24(26)32)18(11-16)28-14/h7-8,11,14,28H,5-6,9-10,12-13H2,1-4H3,(H2,26,32)(H,27,31)/t14-/m0/s1
  • InChiKey: ZMWGRGWSDBRICN-AWEZNQCLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class B member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax heat shock protein 86, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90-like protein, related Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Theileria parva heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans hypothetical protein Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-alpha, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium parvum Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Treponema pallidum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein HSP90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing Get druggable targets OG5_126623 All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90, related Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii putative heat shock protein 81-2 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium hominis heat shock protein 83 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum heat shock protein 90, putative heat shock protein 90kDa alpha (cytosolic), class B member 1 724 aa 725 aa 35.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Echinococcus granulosus cathepsin L cysteine protease 0.0088 0.4473 0.4181
Trypanosoma cruzi cysteine peptidase, putative 0.0167 1 1
Plasmodium vivax unspecified product 0.0054 0.2087 0.1487
Brugia malayi cathepsin L-like precursor 0.0113 0.6232 0.5946
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.106 0.0588
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0167 1 1
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Onchocerca volvulus 0.0167 1 1
Onchocerca volvulus 0.0167 1 1
Toxoplasma gondii cathepsin B 0.0075 0.3534 0.3044
Plasmodium falciparum serine repeat antigen 4 0.0034 0.0705 0.0705
Brugia malayi Cathepsin L-like cysteine proteinase 0.0113 0.6232 0.5946
Giardia lamblia Cathepsin L precursor 0.0034 0.0705 0.067
Giardia lamblia Cathepsin L precursor 0.0034 0.0705 0.067
Leishmania major cathepsin L-like protease 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0705 0.0705
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Entamoeba histolytica cysteine proteinase, putative 0.0088 0.4473 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0167 1 1
Leishmania major cathepsin L-like protease 0.0167 1 1
Echinococcus multilocularis cathepsin b 0.0165 0.9853 0.9846
Echinococcus granulosus cathepsin l1 0.0167 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0088 0.4473 0.3818
Leishmania major cathepsin L-like protease 0.0167 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0113 0.6232 0.5946
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0502 0.0502
Giardia lamblia Cathepsin B precursor 0.0075 0.3534 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0113 0.6232 0.6232
Schistosoma mansoni cathepsin s 0.0054 0.2087 0.1487
Onchocerca volvulus 0.0167 1 1
Echinococcus granulosus cathepsin b 0.0165 0.9853 0.9846
Plasmodium falciparum cysteine proteinase falcipain 3 0.0167 1 1
Echinococcus granulosus cathepsin b 0.0165 0.9853 0.9846
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0088 0.4473 0.4181
Giardia lamblia Cathepsin L precursor 0.0034 0.0705 0.067
Loa Loa (eye worm) hypothetical protein 0.0113 0.6232 0.5946
Echinococcus granulosus cathepsin L 0.0088 0.4473 0.4181
Echinococcus multilocularis cathepsin L cysteine protease 0.0167 1 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0165 0.9853 0.9842
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0034 0.0705 0.0705
Giardia lamblia Cathepsin L-like protease 0.0034 0.0705 0.067
Onchocerca volvulus 0.0167 1 1
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0502 0.0502
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0034 0.0705 0.0705
Leishmania major cathepsin L-like protease 0.0167 1 1
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0088 0.4473 0.4054
Giardia lamblia Cysteine protease 0.0034 0.0705 0.067
Giardia lamblia Hypothetical protein 0.0034 0.0705 0.067
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0034 0.0705 0.067
Brugia malayi Cathepsin L-like precursor 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0034 0.0705 0.0705
Brugia malayi Cathepsin L-like precursor 0.0054 0.2087 0.1487
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.106 0.0588
Echinococcus multilocularis cathepsin L 0.0034 0.0705 0.0214
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0075 0.3534 0.3044
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0705 0.0705
Giardia lamblia Cathepsin L precursor 0.0034 0.0705 0.067
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0167 1 1
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Plasmodium falciparum serine repeat antigen 5 0.0034 0.0705 0.0705
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Schistosoma mansoni endoplasmin 0.0039 0.106 0.0382
Echinococcus granulosus cathepsin l1 0.0113 0.6232 0.6033
Trypanosoma cruzi cysteine peptidase, putative 0.0167 1 1
Plasmodium vivax vivapain-2 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0088 0.4473 0.4054
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0054 0.2087 0.1487
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Echinococcus granulosus cathepsin L 0.0034 0.0705 0.0214
Toxoplasma gondii cathepsin CPL 0.0167 1 1
Schistosoma mansoni heat shock protein 0.0039 0.106 0.0382
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0034 0.0705 0.067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0088 0.4473 0.4473
Trypanosoma cruzi cysteine proteinase, putative 0.0088 0.4473 0.4181
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.106 0.0382
Trypanosoma cruzi cysteine peptidase, putative 0.0167 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0054 0.2087 0.1669
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Loa Loa (eye worm) ctsf protein 0.0167 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0167 1 1
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0502 0.0502
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0034 0.0705 0.0705
Brugia malayi Papain family cysteine protease containing protein 0.0088 0.4473 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0034 0.0705 0.0705
Leishmania major cathepsin L-like protease 0.0167 1 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.9853 0.9842
Leishmania major cathepsin L-like protease 0.0167 1 1
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Echinococcus granulosus cysteine protease 0.0088 0.4473 0.4181
Loa Loa (eye worm) heat shock protein 90 0.0039 0.106 0.0382
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Schistosoma mansoni heat shock protein 0.0039 0.106 0.0382
Brugia malayi Papain family cysteine protease containing protein 0.0088 0.4473 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0167 1 1
Brugia malayi Cathepsin L-like precursor 0.0167 1 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0075 0.3534 0.2768
Giardia lamblia Cathepsin L-like protease 0.0034 0.0705 0.067
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.106 0.0588
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0034 0.0705 0.0705
Schistosoma mansoni cathepsin F (C01 family) 0.0167 1 1
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Loa Loa (eye worm) cysteine protease 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Brugia malayi Cathepsin L-like precursor 0.0113 0.6232 0.5946
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0088 0.4473 0.3818
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0031 0.0502 0.5
Onchocerca volvulus 0.0167 1 1
Plasmodium vivax endoplasmin, putative 0.0039 0.106 0.0382
Echinococcus granulosus heat shock protein 90 0.0039 0.106 0.0588
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.106 0.0382
Echinococcus multilocularis heat shock protein 0.0039 0.106 0.0588
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0088 0.4473 0.4054
Brugia malayi heat shock protein 90 0.0039 0.106 0.0382
Brugia malayi cathepsin F-like cysteine proteinase 0.0054 0.2087 0.1487
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0167 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.106 0.0588
Leishmania major cysteine peptidase A (CPA) 0.0167 1 1
Brugia malayi Cathepsin L-like precursor 0.0167 1 1
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0075 0.3534 0.3193
Entamoeba histolytica cysteine proteinase, putative 0.0088 0.4473 0.4054
Echinococcus multilocularis cathepsin b 0.0165 0.9853 0.9846
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0034 0.0705 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0113 0.6232 0.6232
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Loa Loa (eye worm) fibroinase 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0705 0.0705
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0088 0.4473 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0075 0.3534 0.3534
Loa Loa (eye worm) hypothetical protein 0.0113 0.6232 0.5946
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0034 0.0705 0.067
Giardia lamblia Cathepsin B precursor 0.0034 0.0705 0.067
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0113 0.6232 0.6033
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0165 0.9853 0.9842
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0088 0.4473 0.4181
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0054 0.2087 0.1487
Brugia malayi Cathepsin L-like precursor 0.0113 0.6232 0.5946
Trypanosoma cruzi major cysteine proteinase, putative 0.0034 0.0705 0.0214
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Brugia malayi Cathepsin L-like precursor 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0705 0.0705
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Plasmodium vivax unspecified product 0.0088 0.4473 0.4054
Plasmodium falciparum heat shock protein 90 0.0039 0.106 0.106
Toxoplasma gondii heat shock protein HSP90 0.0039 0.106 0.0382
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0088 0.4473 0.4473
Onchocerca volvulus Cathepsin F homolog 0.0167 1 1
Echinococcus multilocularis heat shock protein 90 0.0039 0.106 0.0588
Giardia lamblia Cysteine protease 0.0034 0.0705 0.067
Onchocerca volvulus Cathepsin L homolog 0.0167 1 1
Giardia lamblia Encystation-specific protease 0.0034 0.0705 0.067
Giardia lamblia Cathepsin B precursor 0.0034 0.0705 0.067
Leishmania major cathepsin L-like protease 0.0167 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.2087 0.1669
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0088 0.4473 0.4473
Entamoeba histolytica cysteine proteinase, putative 0.0167 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0167 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0167 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0165 0.9853 0.9846
Giardia lamblia Cathepsin B precursor 0.0075 0.3534 1
Giardia lamblia Cysteine protease 0.0034 0.0705 0.067
Giardia lamblia Hypothetical protein 0.0034 0.0705 0.067
Plasmodium vivax vivapain-1 0.0088 0.4473 0.4054
Plasmodium falciparum serine repeat antigen 6 0.0034 0.0705 0.0705
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Loa Loa (eye worm) hypothetical protein 0.0113 0.6232 0.5946
Echinococcus granulosus cathepsin L cysteine proteinase 0.0167 1 1
Leishmania major cathepsin L-like protease 0.0167 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.106 0.1841
Brugia malayi Cathepsin L-like precursor 0.0167 1 1
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0088 0.4473 0.4054
Onchocerca volvulus Cathepsin L homolog 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0705 0.0705
Echinococcus multilocularis cathepsin L 0.0088 0.4473 0.4181
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0034 0.0705 0.0705
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0165 0.9853 0.9842
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Plasmodium vivax heat shock protein 86, putative 0.0039 0.106 0.0382
Trichomonas vaginalis heat shock protein, putative 0.0039 0.106 0.106
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0705 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0034 0.0705 0.0705
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.106 0.0382
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Onchocerca volvulus 0.0113 0.6232 0.5946
Loa Loa (eye worm) hypothetical protein 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 1 1
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0075 0.3534 0.3193
Echinococcus multilocularis cysteine protease 0.0167 1 1
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Loa Loa (eye worm) cathepsin B 0.0075 0.3534 0.3044
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0705 0.0705
Plasmodium falciparum serine repeat antigen 3 0.0034 0.0705 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0705 0.0705
Plasmodium falciparum serine repeat antigen 2 0.0034 0.0705 0.0705
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0165 0.9853 0.9842
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Plasmodium vivax vivapain-2 0.0167 1 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0165 0.9853 0.9842
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0113 0.6232 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Echinococcus multilocularis cysteine protease 0.0167 1 1
Plasmodium vivax vivapain-3 0.0088 0.4473 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0167 1 1
Plasmodium falciparum serine repeat antigen 1 0.0034 0.0705 0.0705
Giardia lamblia Cathepsin L precursor 0.0034 0.0705 0.067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1
Giardia lamblia Cathepsin B precursor 0.0034 0.0705 0.067
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 1 1
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 1 1
Brugia malayi Endoplasmin precursor 0.0039 0.106 0.0382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0705 0.0705
Entamoeba histolytica cysteine protease, putative 0.0167 1 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0.0502 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0167 1 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0034 0.0705 0.0705
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Giardia lamblia Cathepsin B precursor 0.0075 0.3534 1
Mycobacterium ulcerans heat shock protein 90 0.0031 0.0502 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0705 0.0705
Treponema pallidum heat shock protein 90 0.0031 0.0502 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0034 0.0705 0.0705
Loa Loa (eye worm) hypothetical protein 0.0054 0.2087 0.1487
Giardia lamblia Cathepsin B precursor 0.0034 0.0705 0.067
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0167 1 1
Plasmodium falciparum serine repeat antigen 9 0.0034 0.0705 0.0705
Giardia lamblia Cathepsin B precursor 0.0034 0.0705 0.067
Entamoeba histolytica cysteine proteinase 2 0.0088 0.4473 0.4054
Onchocerca volvulus 0.0167 1 1
Loa Loa (eye worm) endoplasmin 0.0039 0.106 0.0382
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0167 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.2087 0.1487
Giardia lamblia Cathepsin L precursor 0.0034 0.0705 0.067
Entamoeba histolytica cysteine proteinase, putative 0.0088 0.4473 0.4054
Plasmodium falciparum serine repeat antigen 7 0.0034 0.0705 0.0705
Plasmodium falciparum serine repeat antigen 8 0.0034 0.0705 0.0705
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0705 0.0705
Schistosoma mansoni endoplasmin 0.0039 0.106 0.0382
Echinococcus granulosus heat shock protein 0.0039 0.106 0.0588
Echinococcus granulosus cathepsin l cysteine peptidase 0.0167 1 1
Giardia lamblia Cysteine protease 0.0034 0.0705 0.067
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Trypanosoma cruzi major cysteine proteinase, putative 0.0034 0.0705 0.0214
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Leishmania major heat shock protein 83-1 0.0039 0.106 0.0588
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0034 0.0705 0.067
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.106 0.0588
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 1 1
Onchocerca volvulus 0.0167 1 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0031 0.0502 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.2087 0.1487
Trypanosoma cruzi cysteine protease, putative 0.0088 0.4473 0.4181
Trypanosoma cruzi cysteine proteinase, putative 0.0088 0.4473 0.4181
Entamoeba histolytica cysteine protease, putative 0.0088 0.4473 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3.33 uM Antiproliferative activity against human HCT116 cells ChEMBL. 21515049
IC50 (binding) = 1.842 uM Inhibition of HSP90 in human HCT-116 cells expressing V-Src-firefly luciferase fusion protein after 3 to 6 hrs ChEMBL. 21515049

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21515049

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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