TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 261.75 | Formula: C14H16ClN3
H donors: 1 H acceptors: 1 LogP: 3.09 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)N(Cc1cnc[nH]1)CC1CC1
InChi: 1S/C14H16ClN3/c15-12-2-1-3-14(6-12)18(8-11-4-5-11)9-13-7-16-10-17-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,16,17)
InChiKey: NPERSEKMDLQLIP-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

Species	Target name	Source	Bibliographic reference
Mus musculus	trace amine-associated receptor 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	AT19640p	trace amine-associated receptor 1	332 aa	327 aa	20.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0808	0.0808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0194	0.0808	0.2312
Trypanosoma cruzi	cysteine peptidase, putative	0.0431	0.1898	0.1898
Brugia malayi	Cathepsin L-like precursor	0.0778	0.3497	0.3497
Giardia lamblia	Cathepsin L-like protease	0.0194	0.0808	0.2214
Entamoeba histolytica	cysteine proteinase, putative	0.0778	0.3497	1
Entamoeba histolytica	cysteine protease, putative	0.0194	0.0808	0.2312
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Echinococcus granulosus	cysteine protease	0.0431	0.1898	0.1898
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.219	1	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0194	0.0808	0.2312
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Brugia malayi	Cathepsin L-like precursor	0.0237	0.1006	0.1006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Leishmania major	cathepsin L-like protease	0.0778	0.3497	0.9577
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0194	0.0808	0.2214
Leishmania major	cathepsin L-like protease	0.0778	0.3497	0.9577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0194	0.0808	0.2214
Plasmodium falciparum	serine repeat antigen 7	0.0194	0.0808	0.2312
Entamoeba histolytica	cysteine proteinase, putative	0.0431	0.1898	0.5429
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0778	0.3497	0.9577
Leishmania major	cathepsin L-like protease	0.0778	0.3497	0.9577
Giardia lamblia	Cathepsin L precursor	0.0194	0.0808	0.2214
Toxoplasma gondii	cathepsin B	0.0811	0.3651	1
Onchocerca volvulus	Cathepsin L homolog	0.0778	0.3497	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Giardia lamblia	Cathepsin L precursor	0.0194	0.0808	0.2214
Trypanosoma cruzi	cysteine protease, putative	0.0431	0.1898	0.1898
Brugia malayi	Cathepsin L-like precursor	0.0778	0.3497	0.3497
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0194	0.0808	0.2312
Leishmania major	cathepsin L-like protease	0.0778	0.3497	0.9577
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0194	0.0808	0.0808
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Brugia malayi	Cathepsin L-like precursor	0.0778	0.3497	0.3497
Trypanosoma cruzi	cruzipain precursor, putative	0.0237	0.1006	0.1006
Brugia malayi	cathepsin L precursor	0.0194	0.0808	0.0808
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0194	0.0808	0.0808
Giardia lamblia	Cathepsin B precursor	0.0194	0.0808	0.2214
Loa Loa (eye worm)	cysteine protease	0.0778	0.3497	0.3497
Schistosoma mansoni	cathepsin F (C01 family)	0.0778	0.3497	0.3497
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0194	0.0808	0.2214
Trypanosoma cruzi	cruzipain precursor, putative	0.0778	0.3497	0.3497
Plasmodium vivax	vivapain-1	0.0431	0.1898	0.5429
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0194	0.0808	0.2214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0541	0.2407	0.6592
Giardia lamblia	Cathepsin B precursor	0.0194	0.0808	0.2214
Giardia lamblia	Cathepsin L precursor	0.0194	0.0808	0.2214
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0194	0.0808	0.2312
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.219	1	1
Echinococcus multilocularis	cathepsin L	0.0431	0.1898	0.1898
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0194	0.0808	0.2312
Giardia lamblia	Cathepsin B precursor	0.0194	0.0808	0.2214
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0194	0.0808	0.2214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0194	0.0808	0.2214
Giardia lamblia	Encystation-specific protease	0.0194	0.0808	0.2214
Leishmania major	cysteine peptidase A (CPA)	0.0778	0.3497	0.9577
Echinococcus granulosus	cathepsin b	0.219	1	1
Plasmodium falciparum	serine repeat antigen 1	0.0194	0.0808	0.2312
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Leishmania major	cathepsin L-like protease	0.0778	0.3497	0.9577
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Plasmodium vivax	serine-repeat antigen (SERA)	0.0194	0.0808	0.2312
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0	0.5
Brugia malayi	cathepsin F-like cysteine proteinase	0.0237	0.1006	0.1006
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0778	0.3497	0.9577
Entamoeba histolytica	cysteine protease, putative	0.0194	0.0808	0.2312
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0237	0.1006	0.1006
Onchocerca volvulus		0.0778	0.3497	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0194	0.0808	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0808	0.0808
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0778	0.3497	0.3497
Giardia lamblia	Cathepsin B precursor	0.0811	0.3651	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0778	0.3497	0.3497
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Loa Loa (eye worm)	fibroinase	0.0778	0.3497	0.3497
Brugia malayi	Papain family cysteine protease containing protein	0.0778	0.3497	0.3497
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0451	0.0451
Giardia lamblia	Cathepsin L-like protease	0.0194	0.0808	0.2214
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0194	0.0808	0.2312
Entamoeba histolytica	cysteine protease, putative	0.0194	0.0808	0.2312
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0194	0.0808	0.2214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0431	0.1898	0.5199
Brugia malayi	cathepsin F-like cysteine proteinase	0.0194	0.0808	0.0808
Giardia lamblia	Cathepsin B precursor	0.0811	0.3651	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Onchocerca volvulus		0.0778	0.3497	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0778	0.3497	1
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0194	0.0808	0.2312
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0778	0.3497	1
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0194	0.0808	0.2312
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0778	0.3497	0.9577
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0451	0.0451
Echinococcus multilocularis	cathepsin L	0.0194	0.0808	0.0808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0194	0.0808	0.2214
Plasmodium vivax	unspecified product	0.0237	0.1006	0.2876
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0194	0.0808	0.0808
Plasmodium vivax	unspecified product	0.0194	0.0808	0.2312
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0	0.5
Giardia lamblia	Cysteine protease	0.0194	0.0808	0.2214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0541	0.2407	0.6592
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0541	0.2407	0.2407
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0194	0.0808	0.0808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0778	0.3497	0.9577
Loa Loa (eye worm)	cathepsin B	0.0811	0.3651	0.3651
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0194	0.0808	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0808	0.0808
Onchocerca volvulus		0.0778	0.3497	1
Echinococcus granulosus	cathepsin L	0.0431	0.1898	0.1898
Brugia malayi	Cathepsin L-like precursor	0.0778	0.3497	0.3497
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0194	0.0808	0.2214
Plasmodium vivax	serine-repeat antigen (SERA)	0.0194	0.0808	0.2312
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0811	0.3651	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0194	0.0808	0.0808
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0194	0.0808	0.0808
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0194	0.0808	0.2312
Entamoeba histolytica	cysteine proteinase 1, putative	0.0431	0.1898	0.5429
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0194	0.0808	0.2312
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.219	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0194	0.0808	0.2214
Giardia lamblia	Cathepsin L precursor	0.0194	0.0808	0.2214
Trypanosoma cruzi	major cysteine proteinase, putative	0.0194	0.0808	0.0808
Echinococcus granulosus	cathepsin l1	0.0541	0.2407	0.2407
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Echinococcus granulosus	cathepsin L	0.0194	0.0808	0.0808
Brugia malayi	MH2 domain containing protein	0.0116	0.0451	0.0451
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0194	0.0808	0.0808
Brugia malayi	Papain family cysteine protease containing protein	0.0431	0.1898	0.1898
Onchocerca volvulus		0.0778	0.3497	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.0194	0.0808	0.0808
Echinococcus granulosus	cathepsin l1	0.0778	0.3497	0.3497
Giardia lamblia	Cathepsin L precursor	0.0194	0.0808	0.2214
Schistosoma mansoni	cathepsin s	0.0237	0.1006	0.1006
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0194	0.0808	0.2214
Brugia malayi	Cathepsin L-like precursor	0.0778	0.3497	0.3497
Loa Loa (eye worm)	ctsf protein	0.0778	0.3497	0.3497
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0194	0.0808	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0237	0.1006	0.1006
Plasmodium falciparum	serine repeat antigen 5	0.0194	0.0808	0.2312
Plasmodium vivax	vivapain-2	0.0778	0.3497	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0194	0.0808	0.2214
Schistosoma mansoni	cathepsin C	0.0194	0.0808	0.0808
Entamoeba histolytica	cysteine proteinase, putative	0.0778	0.3497	1
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Onchocerca volvulus		0.0778	0.3497	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0194	0.0808	0.2312
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0431	0.1898	0.5199
Giardia lamblia	Cathepsin B precursor	0.0811	0.3651	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0431	0.1898	0.5199
Entamoeba histolytica	hypothetical protein	0.0194	0.0808	0.2312
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0778	0.3497	0.9577
Entamoeba histolytica	cysteine proteinase, putative	0.0431	0.1898	0.5429
Brugia malayi	Papain family cysteine protease containing protein	0.0194	0.0808	0.0808
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Entamoeba histolytica	cysteine proteinase 2	0.0431	0.1898	0.5429
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0194	0.0808	0.2214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Schistosoma mansoni	cathepsin S (C01 family)	0.0194	0.0808	0.0808
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0431	0.1898	0.1898
Entamoeba histolytica	cysteine protease, putative	0.0194	0.0808	0.2312
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0194	0.0808	0.0808
Trypanosoma cruzi	cysteine proteinase, putative	0.0431	0.1898	0.1898
Leishmania major	cathepsin L-like protease	0.0778	0.3497	0.9577
Echinococcus multilocularis	cathepsin b	0.219	1	1
Brugia malayi	Cathepsin L-like precursor	0.0541	0.2407	0.2407
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0194	0.0808	0.2312
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0778	0.3497	0.9577
Entamoeba histolytica	cysteine proteinase, putative	0.0431	0.1898	0.5429
Trichomonas vaginalis	conserved hypothetical protein	0.0194	0.0808	0.2214
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0194	0.0808	0.0808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0194	0.0808	0.2214
Plasmodium falciparum	serine repeat antigen 8	0.0194	0.0808	0.2312
Toxoplasma gondii	cathepsin CPC1	0.0194	0.0808	0.2214
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0194	0.0808	0.2214
Schistosoma mansoni	cathepsin F (C01 family)	0.0541	0.2407	0.2407
Leishmania major	cathepsin L-like protease	0.0778	0.3497	0.9577
Schistosoma mansoni	cathepsin F (C01 family)	0.0778	0.3497	0.3497
Onchocerca volvulus	Cathepsin L homolog	0.0778	0.3497	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0541	0.2407	0.2407
Plasmodium vivax	vivapain-2	0.0778	0.3497	1
Toxoplasma gondii	cathepsin CPL	0.0778	0.3497	0.9577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Echinococcus multilocularis	cysteine protease	0.0778	0.3497	0.3497
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0431	0.1898	0.1898
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0778	0.3497	0.3497
Plasmodium falciparum	serine repeat antigen 6	0.0194	0.0808	0.2312
Plasmodium falciparum	serine repeat antigen 4	0.0194	0.0808	0.2312
Trypanosoma cruzi	cysteine peptidase, putative	0.0778	0.3497	0.3497
Entamoeba histolytica	cysteine protease, putative	0.0778	0.3497	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0431	0.1898	0.1898
Giardia lamblia	Cathepsin L precursor	0.0194	0.0808	0.2214
Entamoeba histolytica	cysteine protease, putative	0.0194	0.0808	0.2312
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0194	0.0808	0.0808
Schistosoma mansoni	cathepsin B (C01 family)	0.0194	0.0808	0.0808
Onchocerca volvulus		0.0778	0.3497	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0778	0.3497	0.9577
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0778	0.3497	0.9577
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Entamoeba histolytica	cysteine proteinase, putative	0.0541	0.2407	0.6883
Entamoeba histolytica	cysteine proteinase, putative	0.0431	0.1898	0.5429
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0778	0.3497	0.9577
Giardia lamblia	Cysteine protease	0.0194	0.0808	0.2214
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0194	0.0808	0.2214
Onchocerca volvulus	Cathepsin F homolog	0.0778	0.3497	1
Plasmodium vivax	vivapain-3	0.0431	0.1898	0.5429
Trypanosoma cruzi	cysteine peptidase, putative	0.0778	0.3497	0.3497
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0811	0.3651	1
Giardia lamblia	Cathepsin B precursor	0.0194	0.0808	0.2214
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Brugia malayi	Papain family cysteine protease containing protein	0.0431	0.1898	0.1898
Onchocerca volvulus		0.0541	0.2407	0.5946
Brugia malayi	fibroinase precursor	0.0194	0.0808	0.0808
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0431	0.1898	0.5429
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0194	0.0808	0.0808
Brugia malayi	cathepsin L-like precursor	0.0541	0.2407	0.2407
Echinococcus multilocularis	cathepsin L cysteine protease	0.0778	0.3497	0.3497
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0811	0.3651	0.3651
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0808	0.0808
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0778	0.3497	0.9577
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0194	0.0808	0.0808
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0194	0.0808	0.2312
Plasmodium falciparum	serine repeat antigen 3	0.0194	0.0808	0.2312
Giardia lamblia	Hypothetical protein	0.0194	0.0808	0.2214
Echinococcus granulosus	cathepsin b	0.219	1	1
Giardia lamblia	Cathepsin B precursor	0.0194	0.0808	0.2214
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0194	0.0808	0.2214
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0431	0.1898	0.1898
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0431	0.1898	0.1898
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0778	0.3497	0.9577
Loa Loa (eye worm)	hypothetical protein	0.0541	0.2407	0.2407
Echinococcus multilocularis	cysteine protease	0.0778	0.3497	0.3497
Giardia lamblia	Cysteine protease	0.0194	0.0808	0.2214
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0808	0.0808
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0194	0.0808	0.2214
Plasmodium vivax	unspecified product	0.0431	0.1898	0.5429
Giardia lamblia	Hypothetical protein	0.0194	0.0808	0.2214
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0194	0.0808	0.2312
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0194	0.0808	0.2214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Trypanosoma cruzi	cysteine proteinase, putative	0.0431	0.1898	0.1898
Loa Loa (eye worm)	hypothetical protein	0.0778	0.3497	0.3497
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0194	0.0808	0.2214
Loa Loa (eye worm)	hypothetical protein	0.0237	0.1006	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0541	0.2407	0.2407
Loa Loa (eye worm)	hypothetical protein	0.0237	0.1006	0.1006
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.219	1	1
Toxoplasma gondii	cathepsin CPC2	0.0194	0.0808	0.2214
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0778	0.3497	0.3497
Onchocerca volvulus		0.0778	0.3497	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0194	0.0808	0.2214
Trichomonas vaginalis	conserved hypothetical protein	0.0194	0.0808	0.2214
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0778	0.3497	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0778	0.3497	0.3497
Giardia lamblia	Cysteine protease	0.0194	0.0808	0.2214
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0811	0.3651	0.3651
Loa Loa (eye worm)	hypothetical protein	0.219	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0778	0.3497	0.3497
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0	0.5
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0237	0.1006	0.1006
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0778	0.3497	0.3497
Loa Loa (eye worm)	hypothetical protein	0.0541	0.2407	0.2407
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.219	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0778	0.3497	0.3497
Entamoeba histolytica	cysteine protease, putative	0.0194	0.0808	0.2312
Brugia malayi	Cathepsin L-like precursor	0.0541	0.2407	0.2407
Trypanosoma cruzi	cysteine peptidase, putative	0.0237	0.1006	0.1006
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0194	0.0808	0.2312
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0778	0.3497	0.9577
Leishmania major	cathepsin L-like protease	0.0778	0.3497	0.9577
Trypanosoma cruzi	cysteine peptidase, putative	0.0778	0.3497	0.3497
Echinococcus multilocularis	cathepsin b	0.219	1	1
Brugia malayi	Cathepsin L-like precursor	0.0778	0.3497	0.3497
Trypanosoma cruzi	major cysteine proteinase, putative	0.0194	0.0808	0.0808
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0431	0.1898	0.5199
Plasmodium falciparum	serine repeat antigen 9	0.0194	0.0808	0.2312
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0808	0.0808
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0194	0.0808	0.2214
Plasmodium falciparum	serine repeat antigen 2	0.0194	0.0808	0.2312
Brugia malayi	Papain family cysteine protease containing protein	0.0194	0.0808	0.0808
Entamoeba histolytica	cysteine protease, putative	0.0431	0.1898	0.5429
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0778	0.3497	0.9577
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0811	0.3651	1
Brugia malayi	Papain family cysteine protease containing protein	0.0194	0.0808	0.0808

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.9 nM	BindingDB_Patents: Binding Assay. Radioligand binding assay: The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline was used at a concentration equal to the calculated Kd value of 60 nM to give a total binding at around 0.1% of the total added radioligand concentration, and a specific binding which represented approximately 70-80% of the total binding.	ChEMBL.	No reference

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: CHEMBL3645385

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1995109