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

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.

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

ChEMBL: 171654

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 67453