TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 318.394 | Formula: C15H18N4O2S
H donors: 0 H acceptors: 3 LogP: 2.41 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C1/C(=C/c2ccc(cc2)N2CCOCC2)/SC2N1NCN2
InChi: 1S/C15H14N4O2S/c20-14-13(22-15-16-10-17-19(14)15)9-11-1-3-12(4-2-11)18-5-7-21-8-6-18/h1-4,9-10H,5-8H2/b13-9-
InChiKey: VYDSSFUSFWDCLK-LCYFTJDESA-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
Schistosoma mansoni	hypothetical protein	0.0311	0.1527	0.1527
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0192	0.081	0.081
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Brugia malayi	Cathepsin L-like precursor	0.0834	0.4686	0.4686
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.081	0.081
Brugia malayi	Cathepsin L-like precursor	0.0834	0.4686	0.4686
Schistosoma mansoni	cathepsin S (C01 family)	0.0192	0.081	0.081
Brugia malayi	cathepsin L precursor	0.0192	0.081	0.081
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Trypanosoma cruzi	cruzipain precursor, putative	0.026	0.122	0.0446
Schistosoma mansoni	cathepsin s	0.026	0.122	0.122
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0834	0.4686	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0574	0.3115	0.2508
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Echinococcus granulosus	cysteine protease	0.0452	0.2381	0.2381
Giardia lamblia	Cathepsin B precursor	0.0663	0.3652	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0452	0.2381	0.2381
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0574	0.3115	0.3115
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0192	0.081	0.081
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0834	0.4686	1
Onchocerca volvulus	Cathepsin L homolog	0.0834	0.4686	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0663	0.3652	0.5513
Loa Loa (eye worm)	hypothetical protein	0.026	0.122	0.122
Plasmodium vivax	unspecified product	0.026	0.122	0.1058
Entamoeba histolytica	cysteine proteinase, putative	0.0452	0.2381	0.4054
Toxoplasma gondii	cathepsin CPL	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0452	0.2381	0.4054
Leishmania major	cathepsin L-like protease	0.0834	0.4686	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0452	0.2381	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0192	0.081	0.081
Schistosoma mansoni	hypothetical protein	0.017	0.0673	0.0673
Trypanosoma cruzi	cruzipain precursor, putative	0.0834	0.4686	0.4218
Loa Loa (eye worm)	fibroinase	0.0834	0.4686	0.4686
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0574	0.3115	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0834	0.4686	0.4686
Entamoeba histolytica	cysteine proteinase, putative	0.0574	0.3115	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0663	0.3652	0.3093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Leishmania major	cathepsin L-like protease	0.0834	0.4686	1
Onchocerca volvulus		0.0834	0.4686	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.026	0.122	0.122
Loa Loa (eye worm)	hypothetical protein	0.0192	0.081	0.081
Loa Loa (eye worm)	hypothetical protein	0.0192	0.081	0.081
Leishmania major	cathepsin L-like protease	0.0834	0.4686	1
Onchocerca volvulus		0.0834	0.4686	1
Entamoeba histolytica	cysteine proteinase, putative	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0452	0.2381	0.171
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1713	1	1
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Leishmania major	cathepsin L-like protease	0.0834	0.4686	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0452	0.2381	0.2381
Loa Loa (eye worm)	hypothetical protein	0.026	0.122	0.122
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1713	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0574	0.3115	0.5946
Leishmania major	cathepsin L-like protease	0.0834	0.4686	1
Trypanosoma cruzi	cysteine protease, putative	0.0452	0.2381	0.171
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0834	0.4686	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0452	0.2381	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0834	0.4686	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1713	1	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0202	0.0866	0.0866
Trypanosoma cruzi	cysteine peptidase, putative	0.026	0.122	0.0446
Onchocerca volvulus		0.0192	0.081	0.0601
Onchocerca volvulus	Cathepsin L homolog	0.0834	0.4686	1
Echinococcus granulosus	cathepsin b	0.1713	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0834	0.4686	0.4218
Trypanosoma cruzi	cysteine proteinase, putative	0.0452	0.2381	0.171
Echinococcus multilocularis	cathepsin b	0.1713	1	1
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0192	0.081	0.081
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0192	0.081	0.081
Giardia lamblia	Cathepsin B precursor	0.0663	0.3652	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0834	0.4686	0.4218
Trypanosoma cruzi	cysteine peptidase, putative	0.0452	0.2381	0.171
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0663	0.3652	0.7332
Leishmania major	cathepsin L-like protease	0.0834	0.4686	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.081	0.081
Brugia malayi	Cathepsin L-like precursor	0.0834	0.4686	0.4686
Trypanosoma cruzi	cysteine proteinase, putative	0.0452	0.2381	0.171
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0834	0.4686	0.4686
Brugia malayi	cathepsin F-like cysteine proteinase	0.0192	0.081	0.081
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.081	0.081
Echinococcus multilocularis	cathepsin b	0.1713	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Toxoplasma gondii	cathepsin B	0.0663	0.3652	0.7332
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0834	0.4686	0.4686
Plasmodium vivax	vivapain-3	0.0452	0.2381	0.4054
Echinococcus multilocularis	cathepsin L	0.0192	0.081	0.081
Loa Loa (eye worm)	hypothetical protein	0.0192	0.081	0.081
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0834	0.4686	0.4686
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Echinococcus multilocularis	cysteine protease	0.0834	0.4686	0.4686
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Onchocerca volvulus		0.0574	0.3115	0.619
Brugia malayi	Cathepsin L-like precursor	0.0574	0.3115	0.3115
Schistosoma mansoni	hypothetical protein	0.017	0.0673	0.0673
Echinococcus multilocularis	geminin	0.017	0.0673	0.0673
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0192	0.081	0.081
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0834	0.4686	1
Onchocerca volvulus	Cathepsin L homolog	0.0192	0.081	0.0601
Onchocerca volvulus		0.0834	0.4686	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0574	0.3115	0.3115
Plasmodium vivax	vivapain-2	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0834	0.4686	1
Brugia malayi	fibroinase precursor	0.0192	0.081	0.081
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0834	0.4686	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0834	0.4686	0.4686
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.081	0.081
Leishmania major	cathepsin L-like protease	0.0834	0.4686	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0192	0.081	0.081
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0192	0.081	0.081
Entamoeba histolytica	cysteine proteinase, putative	0.0452	0.2381	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0834	0.4686	1
Onchocerca volvulus		0.0834	0.4686	1
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0834	0.4686	0.4686
Leishmania major	cathepsin L-like protease	0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Echinococcus multilocularis	cysteine protease	0.0834	0.4686	0.4686
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0834	0.4686	0.4686
Echinococcus granulosus	cathepsin L	0.0192	0.081	0.081
Entamoeba histolytica	cysteine proteinase 2	0.0452	0.2381	0.4054
Loa Loa (eye worm)	hypothetical protein	0.026	0.122	0.122
Brugia malayi	Papain family cysteine protease containing protein	0.0192	0.081	0.081
Brugia malayi	hypothetical protein	0.0151	0.0562	0.0562
Loa Loa (eye worm)	hypothetical protein	0.0574	0.3115	0.3115
Echinococcus granulosus	cathepsin l1	0.0834	0.4686	0.4686
Echinococcus multilocularis	cathepsin L cysteine protease	0.0834	0.4686	0.4686
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0192	0.081	0.081
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.026	0.122	0.122
Loa Loa (eye worm)	hypothetical protein	0.0192	0.081	0.081
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0834	0.4686	0.4686
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Loa Loa (eye worm)	hypothetical protein	0.0574	0.3115	0.3115
Echinococcus granulosus	geminin	0.017	0.0673	0.0673
Brugia malayi	Papain family cysteine protease containing protein	0.0192	0.081	0.081
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0452	0.2381	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0574	0.3115	0.3115
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0834	0.4686	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0834	0.4686	0.4686
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0834	0.4686	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0834	0.4686	0.4218
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0834	0.4686	1
Onchocerca volvulus	Cathepsin F homolog	0.0834	0.4686	1
Giardia lamblia	Cathepsin B precursor	0.0663	0.3652	1
Onchocerca volvulus		0.0834	0.4686	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0562	0.0562
Onchocerca volvulus		0.0834	0.4686	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0452	0.2381	0.2381
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Loa Loa (eye worm)	hypothetical protein	0.1713	1	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0192	0.081	0.081
Plasmodium vivax	vivapain-2	0.0834	0.4686	1
Echinococcus granulosus	cathepsin b	0.1713	1	1
Schistosoma mansoni	cathepsin C	0.0192	0.081	0.081
Schistosoma mansoni	cathepsin F (C01 family)	0.0834	0.4686	0.4686
Brugia malayi	cathepsin L-like precursor	0.0574	0.3115	0.3115
Brugia malayi	cathepsin F-like cysteine proteinase	0.026	0.122	0.122
Loa Loa (eye worm)	hypothetical protein	0.0192	0.081	0.081
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0202	0.0866	0.0866
Brugia malayi	Cathepsin L-like precursor	0.0834	0.4686	0.4686
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0452	0.2381	0.2381
Schistosoma mansoni	cathepsin F (C01 family)	0.0834	0.4686	0.4686
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0834	0.4686	0.4686
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0834	0.4686	1
Brugia malayi	Cathepsin L-like precursor	0.0574	0.3115	0.3115
Brugia malayi	cathepsin L-like cysteine proteinase	0.0192	0.081	0.081
Loa Loa (eye worm)	ctsf protein	0.0834	0.4686	0.4686
Loa Loa (eye worm)	cathepsin B	0.0663	0.3652	0.3652
Entamoeba histolytica	cysteine proteinase, putative	0.0452	0.2381	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0452	0.2381	0.2381
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1713	1	1
Echinococcus granulosus	cathepsin L	0.0452	0.2381	0.2381
Plasmodium vivax	unspecified product	0.0452	0.2381	0.4054
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1713	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0452	0.2381	0.2381
Trypanosoma cruzi	cysteine peptidase, putative	0.0834	0.4686	0.4218
Plasmodium vivax	vivapain-1	0.0452	0.2381	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.081	0.081
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Echinococcus granulosus	cathepsin l1	0.0574	0.3115	0.3115
Brugia malayi	Papain family cysteine protease containing protein	0.0834	0.4686	0.4686
Onchocerca volvulus		0.0834	0.4686	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0834	0.4686	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0192	0.081	0.081
Leishmania major	cysteine peptidase A (CPA)	0.0834	0.4686	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0192	0.081	0.081
Echinococcus multilocularis	cathepsin L	0.0452	0.2381	0.2381
Entamoeba histolytica	cysteine protease, putative	0.0452	0.2381	0.4054
Loa Loa (eye worm)	cysteine protease	0.0834	0.4686	0.4686
Brugia malayi	Cathepsin L-like precursor	0.026	0.122	0.122
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0834	0.4686	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0192	0.081	0.081
Entamoeba histolytica	cysteine proteinase, putative	0.0452	0.2381	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1
Entamoeba histolytica	cysteine proteinase, putative	0.0834	0.4686	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0663	0.3652	0.3652
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0834	0.4686	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 50 %	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced IL6 release at 10 uM incubated for 2 hrs prior to LPS challenge measured after 22 hrs by ELISA relative to LPS-treated control	ChEMBL.	23644212

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: CHEMBL2391033

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1781200