Detailed information for compound 1882979

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.403 | Formula: C19H23N3O5
  • H donors: 3 H acceptors: 5 LogP: 2.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)c1noc2c1CN(CC2)C(=O)c1cc(C(C)C)c(cc1O)O
  • InChi: 1S/C19H23N3O5/c1-4-20-18(25)17-13-9-22(6-5-16(13)27-21-17)19(26)12-7-11(10(2)3)14(23)8-15(12)24/h7-8,10,23-24H,4-6,9H2,1-3H3,(H,20,25)
  • InChiKey: ULOTVDWTJKRHPG-UHFFFAOYSA-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 A member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense Heat shock protein 83, putative 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 vivax endoplasmin, 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
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
Schistosoma mansoni 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 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
Schistosoma japonicum 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
Plasmodium yoelii putative heat shock protein 81-2 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
Candida albicans heat shock protein 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 major heat shock protein 83-1 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
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium parvum Hsp90 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
Trypanosoma brucei heat shock protein, putative 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
Plasmodium knowlesi heat shock protein 90, putative 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
Plasmodium berghei 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
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin 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
Trypanosoma congolense heat shock protein 90, 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
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, 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
Trypanosoma brucei heat shock protein, 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 cruzi 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
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
Schistosoma mansoni endoplasmin 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
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
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
Babesia bovis hsp90 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
Trichomonas vaginalis heat shock protein, putative 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
Cryptosporidium hominis heat shock protein 83 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 congolense heat shock protein 90, putative 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
Leishmania donovani 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
Loa Loa (eye worm) endoplasmin 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
Candida albicans heat shock protein 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
Trypanosoma brucei Heat shock protein 83, 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
Loa Loa (eye worm) heat shock protein 90 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
Brugia malayi heat shock protein 90 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
Echinococcus multilocularis heat shock protein 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
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
Plasmodium vivax heat shock protein 86, 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 cruzi heat shock protein 85, 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
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
Leishmania infantum heat shock protein 83-1 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
Echinococcus multilocularis endoplasmin 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
Leishmania braziliensis heat shock protein 83-1 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
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
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans hypothetical 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
Entamoeba histolytica heat shock protein 90, 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 heat shock protein 83-1 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 mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90, related 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
Toxoplasma gondii heat shock protein 90, 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
Echinococcus granulosus endoplasmin 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
Treponema pallidum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Grp94/Hsp90 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
Plasmodium yoelii heat shock 90 kDa protein homolog 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
Brugia malayi Endoplasmin precursor 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
Plasmodium yoelii heat shock protein 90 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
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
Trypanosoma brucei heat shock protein, 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 congolense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
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
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.00777519 0.280873 1
Trypanosoma brucei cytochrome P450, putative 0.0225962 1 1
Loa Loa (eye worm) CYP4Cod1 0.0225962 1 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.00777519 0.280873 1
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.00777519 0.280873 0.259976
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.00777519 0.280873 0.259976
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.00777519 0.280873 1
Treponema pallidum heat shock protein 90 0.00256847 0.0282394 0.5
Trichomonas vaginalis heat shock protein, putative 0.00336783 0.067025 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.00777519 0.280873 1
Brugia malayi cytochrome P450 0.00777519 0.280873 0.229211
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.00777519 0.280873 0.259976
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.00777519 0.280873 0.280873
Trypanosoma cruzi heat shock protein 90, putative 0.00256847 0.0282394 0.0282394
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.00777519 0.280873 1
Schistosoma mansoni cytochrome P450 0.00777519 0.280873 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.00777519 0.280873 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.00777519 0.280873 0.259976
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.00777519 0.280873 1
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.00777519 0.280873 0.259976
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.00777519 0.280873 0.259976
Loa Loa (eye worm) cytochrome P450 family protein 0.00777519 0.280873 0.229211
Toxoplasma gondii cytochrome p450 superfamily protein 0.00777519 0.280873 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.00777519 0.280873 0.259976
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.00777519 0.280873 0.259976
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.00777519 0.280873 0.259976
Leishmania major cytochrome p450-like protein 0.0225962 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.00777519 0.280873 0.280873
Trichomonas vaginalis heat shock protein, putative 0.00256847 0.0282394 0.326631
Trypanosoma cruzi heat shock protein 90, putative 0.00336783 0.067025 0.067025
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.00777519 0.280873 0.259976
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Trypanosoma cruzi cytochrome p450-like protein, putative 0.00777519 0.280873 0.280873
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.00777519 0.280873 0.259976
Echinococcus granulosus heat shock protein 90 0.00336783 0.067025 0.153525
Trypanosoma cruzi Heat shock protein 83, putative 0.00336783 0.067025 0.067025
Echinococcus multilocularis 0.00777519 0.280873 1
Entamoeba histolytica heat shock protein 90, putative 0.00336783 0.067025 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.00777519 0.280873 1
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.00777519 0.280873 1
Trypanosoma cruzi cytochrome P450, putative 0.0225962 1 1
Plasmodium falciparum heat shock protein 90 0.00336783 0.067025 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.00777519 0.280873 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.00777519 0.280873 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.00777519 0.280873 0.259976
Brugia malayi Cytochrome P450 family protein 0.0225962 1 1
Brugia malayi Cytochrome P450 family protein 0.00777519 0.280873 0.229211
Brugia malayi Cytochrome P450 family protein 0.0225962 1 1
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.00777519 0.280873 0.259976
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.00256847 0.0282394 0.5
Loa Loa (eye worm) hypothetical protein 0.014821 0.622742 0.595639
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.00777519 0.280873 0.259976
Brugia malayi Cytochrome P450 family protein 0.00777519 0.280873 0.229211
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.00777519 0.280873 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.00777519 0.280873 0.259976
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.00777519 0.280873 0.259976
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.00777519 0.280873 1
Loa Loa (eye worm) cytochrome P450 0.00777519 0.280873 0.229211
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.00777519 0.280873 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0225962 1 1
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Trypanosoma cruzi heat shock protein 85, putative 0.00336783 0.067025 0.067025
Giardia lamblia Heat shock protein HSP 90-alpha 0.00336783 0.067025 1
Mycobacterium leprae putative cytochrome p450 0.00777519 0.280873 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.00777519 0.280873 0.229211
Trichomonas vaginalis heat shock protein, putative 0.00256847 0.0282394 0.326631
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.00777519 0.280873 1
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Leishmania major cytochrome p450-like protein 0.00777519 0.280873 0.259976
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Plasmodium vivax endoplasmin, putative 0.00336783 0.067025 0.5
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.00777519 0.280873 0.259976
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Trypanosoma cruzi heat shock protein 85, putative 0.00256847 0.0282394 0.0282394
Trypanosoma cruzi heat shock protein 85, putative 0.00336783 0.067025 0.067025
Leishmania major cytochrome p450-like protein 0.00777519 0.280873 0.259976
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.00777519 0.280873 0.259976
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.00777519 0.280873 0.259976
Echinococcus multilocularis heat shock protein 0.00336783 0.067025 0.153525
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.00777519 0.280873 0.259976
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.00777519 0.280873 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0225962 1 1
Trichomonas vaginalis heat shock protein, putative 0.00256847 0.0282394 0.326631
Trypanosoma cruzi heat shock protein 85, putative 0.00336783 0.067025 0.067025
Schistosoma mansoni hypothetical protein 0.00777519 0.280873 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.00777519 0.280873 1
Trypanosoma cruzi cytochrome P450, putative 0.0225962 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0225962 1 1
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Mycobacterium leprae Conserved hypothetical protein 0.00777519 0.280873 1
Entamoeba histolytica heat shock protein 90, putative 0.00336783 0.067025 0.5
Plasmodium vivax heat shock protein 86, putative 0.00336783 0.067025 0.5
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.00777519 0.280873 0.259976
Echinococcus granulosus cytochrome P450 2K1 0.00777519 0.280873 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.00777519 0.280873 1
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Echinococcus granulosus heat shock protein 0.00336783 0.067025 0.153525
Leishmania major heat shock protein 83-1 0.00336783 0.067025 0.0399127
Echinococcus multilocularis heat shock protein 90 0.00336783 0.067025 0.153525
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.00777519 0.280873 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.00777519 0.280873 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 971 nM Antiplasmodial activity against Trypanosoma brucei rhodesiense assessed as growth inhibition ChEMBL. 25547934
IC50 (functional) = 996 nM Antitrypanosomal activity against Trypanosoma cruzi assessed as growth inhibition ChEMBL. 25547934
IC50 (functional) = 4525 nM Antiplasmodial activity against Plasmodium falciparum assessed as growth inhibition ChEMBL. 25547934
IC50 (binding) = 0.029 uM Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay ChEMBL. 24565573
IC50 (functional) = 0.45 uM Cytotoxicity against human NCI-H460 cells assessed as growth inhibition after 72 hrs by sulforhodamine B assay ChEMBL. 24565573

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 25547934
Homo sapiens ChEMBL23 24565573
Trypanosoma cruzi ChEMBL23 25547934
Trypanosoma brucei gambiense 25547934

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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