TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.394 | Formula: C17H22N6O5
H donors: 5 H acceptors: 7 LogP: -1.18 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OCCCC#Cc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)C(=O)NCC
InChi: 1S/C17H22N6O5/c1-2-19-16(27)13-11(25)12(26)17(28-13)23-8-20-10-14(18)21-9(22-15(10)23)6-4-3-5-7-24/h8,11-13,17,24-26H,2-3,5,7H2,1H3,(H,19,27)(H2,18,21,22)
InChiKey: BTBKFFITGCENPJ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Onchocerca volvulus		0.0225	0.6501	1
Entamoeba histolytica	hypothetical protein	0.0049	0.095	0.1461
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0	0.5
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.095	0.095
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0049	0.095	0.2533
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.095	0.1461
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.6501	0.6501
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1307	1
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Entamoeba histolytica	cysteine proteinase, putative	0.012	0.32	0.4923
Toxoplasma gondii	cathepsin B	0.0138	0.3749	0.5767
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0049	0.095	0.095
Entamoeba histolytica	cysteine proteinase 1, putative	0.012	0.32	0.4923
Onchocerca volvulus		0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.095	0.1461
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0138	0.3749	0.3749
Leishmania major	cysteine peptidase A (CPA)	0.0225	0.6501	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.012	0.32	0.32
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Giardia lamblia	Cathepsin L precursor	0.0049	0.095	0.2533
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.1307	0.2011
Giardia lamblia	Cathepsin L precursor	0.0049	0.095	0.2533
Loa Loa (eye worm)	fibroinase	0.0225	0.6501	0.6501
Trypanosoma cruzi	cysteine peptidase, putative	0.012	0.32	0.32
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0225	0.6501	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.012	0.32	0.32
Loa Loa (eye worm)	hypothetical protein	0.0049	0.095	0.095
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0225	0.6501	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0072	0.1664	0.1664
Trichomonas vaginalis	conserved hypothetical protein	0.0049	0.095	0.1461
Echinococcus multilocularis	cathepsin L	0.012	0.32	0.32
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Plasmodium falciparum	serine repeat antigen 3	0.0049	0.095	0.1461
Brugia malayi	Papain family cysteine protease containing protein	0.012	0.32	0.32
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0049	0.095	0.095
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.6501	1
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0049	0.095	0.1461
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0049	0.095	0.1461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.095	0.1461
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1307	0.1307
Brugia malayi	Cathepsin L-like precursor	0.0225	0.6501	0.6501
Giardia lamblia	Cathepsin B precursor	0.0138	0.3749	1
Echinococcus granulosus	zinc finger transcription factor gli2	0.0317	0.938	0.938
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0225	0.6501	0.6501
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0049	0.095	0.1461
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0844	0.0844
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Leishmania major	cathepsin L-like protease	0.0225	0.6501	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0049	0.095	0.1461
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.6501	1
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1307	0.1307
Giardia lamblia	Cathepsin L precursor	0.0049	0.095	0.2533
Plasmodium vivax	vivapain-1	0.012	0.32	0.4923
Entamoeba histolytica	cysteine protease, putative	0.0225	0.6501	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0337	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.095	0.1461
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0225	0.6501	0.6501
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0844	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0154	0.425	0.425
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.6501	0.6501
Plasmodium vivax	vivapain-2	0.0225	0.6501	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0138	0.3749	0.5767
Plasmodium falciparum	serine repeat antigen 6	0.0049	0.095	0.1461
Onchocerca volvulus		0.0225	0.6501	1
Plasmodium vivax	unspecified product	0.012	0.32	0.4923
Brugia malayi	cathepsin F-like cysteine proteinase	0.0049	0.095	0.095
Loa Loa (eye worm)	hypothetical protein	0.0154	0.425	0.425
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0225	0.6501	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.012	0.32	0.4923
Brugia malayi	Cathepsin L-like precursor	0.0225	0.6501	0.6501
Brugia malayi	Cathepsin L-like precursor	0.0225	0.6501	0.6501
Trypanosoma cruzi	cysteine proteinase, putative	0.012	0.32	0.32
Giardia lamblia	Hypothetical protein	0.0049	0.095	0.2533
Brugia malayi	cathepsin L-like precursor	0.0154	0.425	0.425
Giardia lamblia	Cathepsin L-like protease	0.0049	0.095	0.2533
Echinococcus multilocularis	cysteine protease	0.0225	0.6501	0.6501
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.095	0.1461
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	0.1664	0.1664
Leishmania major	cathepsin L-like protease	0.0225	0.6501	1
Brugia malayi	Cathepsin L-like precursor	0.0154	0.425	0.425
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0049	0.095	0.1461
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0844	0.0844
Trypanosoma cruzi	cruzipain precursor, putative	0.0225	0.6501	0.6501
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.012	0.32	0.32
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0	0.5
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0138	0.3749	0.5767
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0154	0.425	0.6538
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.1307	0.1307
Echinococcus granulosus	cathepsin L	0.012	0.32	0.32
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Entamoeba histolytica	cysteine proteinase, putative	0.012	0.32	0.4923
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0049	0.095	0.095
Onchocerca volvulus		0.0225	0.6501	1
Leishmania major	cathepsin L-like protease	0.0225	0.6501	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1307	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0154	0.425	0.6538
Entamoeba histolytica	cysteine protease, putative	0.0049	0.095	0.1461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.095	0.095
Giardia lamblia	Cathepsin L precursor	0.0049	0.095	0.2533
Loa Loa (eye worm)	hypothetical protein	0.0154	0.425	0.425
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1664	0.1664
Plasmodium falciparum	serine repeat antigen 1	0.0049	0.095	0.1461
Echinococcus multilocularis	cathepsin L	0.0049	0.095	0.095
Giardia lamblia	Cathepsin B precursor	0.0049	0.095	0.2533
Entamoeba histolytica	cysteine protease, putative	0.0049	0.095	0.1461
Echinococcus granulosus	cathepsin b	0.0337	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.6501	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0225	0.6501	0.6501
Plasmodium falciparum	serine repeat antigen 7	0.0049	0.095	0.1461
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Giardia lamblia	Cathepsin L precursor	0.0049	0.095	0.2533
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.1307	0.2011
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0844	0.0844
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.6501	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0225	0.6501	0.6501
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0072	0.1664	0.1664
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.6501	1
Loa Loa (eye worm)	cysteine protease	0.0225	0.6501	0.6501
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0049	0.095	0.095
Giardia lamblia	Hypothetical protein	0.0049	0.095	0.2533
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0049	0.095	0.1461
Brugia malayi	Papain family cysteine protease containing protein	0.0049	0.095	0.095
Toxoplasma gondii	cathepsin CPC1	0.0049	0.095	0.1461
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.6501	0.6501
Entamoeba histolytica	cysteine protease, putative	0.0049	0.095	0.1461
Leishmania major	cathepsin L-like protease	0.0225	0.6501	1
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Echinococcus granulosus	cathepsin b	0.0337	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.095	0.095
Toxoplasma gondii	cathepsin CPC2	0.0049	0.095	0.1461
Loa Loa (eye worm)	hypothetical protein	0.0049	0.095	0.095
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0049	0.095	0.1461
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0049	0.095	0.095
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Plasmodium falciparum	serine repeat antigen 8	0.0049	0.095	0.1461
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0138	0.3749	0.5767
Plasmodium falciparum	serine repeat antigen 2	0.0049	0.095	0.1461
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Brugia malayi	Papain family cysteine protease containing protein	0.0049	0.095	0.095
Loa Loa (eye worm)	hypothetical protein	0.0337	1	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0049	0.095	0.095
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0049	0.095	0.1461
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0337	1	1
Plasmodium vivax	serine-repeat antigen (SERA)	0.0049	0.095	0.1461
Schistosoma mansoni	cathepsin B (C01 family)	0.0049	0.095	0.095
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0049	0.095	0.2533
Giardia lamblia	Cysteine protease	0.0049	0.095	0.2533
Toxoplasma gondii	cathepsin CPL	0.0225	0.6501	1
Brugia malayi	fibroinase precursor	0.0049	0.095	0.095
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.095	0.095
Brugia malayi	Papain family cysteine protease containing protein	0.012	0.32	0.32
Onchocerca volvulus		0.0225	0.6501	1
Schistosoma mansoni	cathepsin C	0.0049	0.095	0.095
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0049	0.095	0.095
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0049	0.095	0.1461
Loa Loa (eye worm)	zinc finger protein	0.0317	0.938	0.938
Loa Loa (eye worm)	ctsf protein	0.0225	0.6501	0.6501
Onchocerca volvulus	Cathepsin L homolog	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0049	0.095	0.1461
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0225	0.6501	0.6501
Echinococcus multilocularis	cathepsin b	0.0337	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Brugia malayi	Cathepsin L-like precursor	0.0225	0.6501	0.6501
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0844	0.0844
Echinococcus multilocularis	cysteine protease	0.0225	0.6501	0.6501
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.095	0.1461
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0049	0.095	0.1461
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.6501	1
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.6501	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Entamoeba histolytica	cysteine protease, putative	0.0049	0.095	0.1461
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0049	0.095	0.1461
Loa Loa (eye worm)	hypothetical protein	0.0049	0.095	0.095
Giardia lamblia	Cysteine protease	0.0049	0.095	0.2533
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Giardia lamblia	Cathepsin L-like protease	0.0049	0.095	0.2533
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.6501	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0049	0.095	0.095
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0049	0.095	0.1461
Brugia malayi	cathepsin L precursor	0.0049	0.095	0.095
Brugia malayi	Papain family cysteine protease containing protein	0.0049	0.095	0.095
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0049	0.095	0.2533
Plasmodium vivax	vivapain-2	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0154	0.425	0.425
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0049	0.095	0.1461
Trypanosoma cruzi	cysteine proteinase, putative	0.012	0.32	0.32
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0844	0.0844
Trypanosoma cruzi	cruzipain precursor, putative	0.0072	0.1664	0.1664
Plasmodium falciparum	cysteine proteinase falcipain 1	0.012	0.32	0.4923
Onchocerca volvulus		0.0225	0.6501	1
Leishmania major	cathepsin L-like protease	0.0225	0.6501	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.1307	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1307	1
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0049	0.095	0.095
Giardia lamblia	Cysteine protease	0.0049	0.095	0.2533
Schistosoma mansoni	cathepsin S (C01 family)	0.0049	0.095	0.095
Brugia malayi	Cathepsin L-like precursor	0.0225	0.6501	0.6501
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0049	0.095	0.1461
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0337	1	1
Brugia malayi	Cathepsin L-like precursor	0.0154	0.425	0.425
Plasmodium vivax	unspecified product	0.0072	0.1664	0.256
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0049	0.095	0.1461
Giardia lamblia	Cathepsin L precursor	0.0049	0.095	0.2533
Leishmania major	cathepsin L-like protease	0.0225	0.6501	1
Giardia lamblia	Cathepsin B precursor	0.0049	0.095	0.2533
Giardia lamblia	Cathepsin B precursor	0.0049	0.095	0.2533
Schistosoma mansoni	cathepsin s	0.0072	0.1664	0.1664
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0049	0.095	0.1461
Entamoeba histolytica	cysteine protease, putative	0.0049	0.095	0.1461
Giardia lamblia	Cysteine protease	0.0049	0.095	0.2533
Loa Loa (eye worm)	cathepsin B	0.0138	0.3749	0.3749
Plasmodium vivax	unspecified product	0.0049	0.095	0.1461
Plasmodium falciparum	serine repeat antigen 4	0.0049	0.095	0.1461
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0072	0.1664	0.1664
Giardia lamblia	Cathepsin B precursor	0.0049	0.095	0.2533
Loa Loa (eye worm)	hypothetical protein	0.0049	0.095	0.095
Entamoeba histolytica	cysteine proteinase, putative	0.012	0.32	0.4923
Onchocerca volvulus		0.0225	0.6501	1
Onchocerca volvulus	Cathepsin L homolog	0.0225	0.6501	1
Brugia malayi	Papain family cysteine protease containing protein	0.0225	0.6501	0.6501
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0049	0.095	0.1461
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.012	0.32	0.4923
Trichomonas vaginalis	conserved hypothetical protein	0.0049	0.095	0.1461
Giardia lamblia	Cathepsin B precursor	0.0138	0.3749	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0049	0.095	0.2533
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0337	1	1
Echinococcus granulosus	cathepsin l1	0.0225	0.6501	0.6501
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.012	0.32	0.32
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0844	0.0844
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.6501	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1664	0.1664
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0049	0.095	0.095
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0049	0.095	0.1461
Loa Loa (eye worm)	hypothetical protein	0.0225	0.6501	0.6501
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0844	0.0844
Giardia lamblia	Cathepsin B precursor	0.0049	0.095	0.2533
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0049	0.095	0.1461
Plasmodium vivax	vivapain-3	0.012	0.32	0.4923
Onchocerca volvulus		0.0154	0.425	0.5946
Giardia lamblia	Encystation-specific protease	0.0049	0.095	0.2533
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Leishmania major	cathepsin L-like protease	0.0225	0.6501	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.3749	0.3749
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0844	0.0844
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0049	0.095	0.095
Entamoeba histolytica	cysteine protease, putative	0.0049	0.095	0.1461
Entamoeba histolytica	cysteine proteinase, putative	0.0154	0.425	0.6538
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1664	0.1664
Brugia malayi	Cathepsin L-like precursor	0.0072	0.1664	0.1664
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0154	0.425	0.425
Brugia malayi	cathepsin L-like cysteine proteinase	0.0049	0.095	0.095
Entamoeba histolytica	cysteine proteinase, putative	0.012	0.32	0.4923
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0049	0.095	0.095
Schistosoma mansoni	cathepsin F (C01 family)	0.0154	0.425	0.425
Plasmodium falciparum	serine repeat antigen 9	0.0049	0.095	0.1461
Echinococcus multilocularis	cathepsin b	0.0337	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.095	0.1461
Leishmania major	cathepsin L-like protease	0.0225	0.6501	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0225	0.6501	0.6501
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0049	0.095	0.1461
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0317	0.938	0.938
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0049	0.095	0.1461
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0049	0.095	0.1461
Giardia lamblia	Cathepsin B precursor	0.0138	0.3749	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0225	0.6501	0.6501
Plasmodium vivax	serine-repeat antigen (SERA)	0.0049	0.095	0.1461
Schistosoma mansoni	cathepsin F (C01 family)	0.0225	0.6501	0.6501
Echinococcus granulosus	cysteine protease	0.012	0.32	0.32
Onchocerca volvulus	Cathepsin F homolog	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.095	0.1461
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.6501	1
Echinococcus granulosus	cathepsin L cysteine protease	0.012	0.32	0.32
Plasmodium falciparum	serine repeat antigen 5	0.0049	0.095	0.1461
Echinococcus granulosus	cathepsin l1	0.0154	0.425	0.425
Brugia malayi	Cathepsin L-like precursor	0.0225	0.6501	0.6501
Schistosoma mansoni	cathepsin F (C01 family)	0.0225	0.6501	0.6501
Trypanosoma cruzi	cysteine protease, putative	0.012	0.32	0.32
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.095	0.1461
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0049	0.095	0.095
Entamoeba histolytica	cysteine proteinase 2	0.012	0.32	0.4923
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.6501	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0225	0.6501	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0049	0.095	0.095
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.1307	0.1307
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0225	0.6501	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0225	0.6501	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.012	0.32	0.4923
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0049	0.095	0.1461
Echinococcus granulosus	cathepsin L	0.0049	0.095	0.095
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0225	0.6501	0.6501
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.012	0.32	0.4923
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0337	1	1
Entamoeba histolytica	cysteine protease, putative	0.012	0.32	0.4923
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0049	0.095	0.095
Brugia malayi	Zinc finger, C2H2 type family protein	0.0317	0.938	0.938

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 300 nM	Negative chronotropic activity via A2 Adenosine receptor was tested monitoring vasodilation in rat aorta	ChEMBL.	8201607
EC50 (functional)	> 10 uM	Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atria	ChEMBL.	8201607
k' (ADMET)	= 0.22	Hydrophobicity index (k') (RP-HPLC)	ChEMBL.	8201607
Ki (binding)	= 11.3 nM	Affinity for the adenosine A2 receptor was evaluated in a competition assay in rat striatum using [3H]-CGS- 21680 as radioligand	ChEMBL.	8201607
Ki (binding)	= 99.9 nM	Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand	ChEMBL.	8201607
Ratio (functional)	= 2.2	Inhibition compared to inhibition by NECA (IC50 ratio) of rabbit platelet aggregation induced by ADP	ChEMBL.	8201607
Selectivity (binding)	= 8.8	Ratio between Ki values of A1 and A2 receptors was determined	ChEMBL.	8201607

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: 171654

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 67453