TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 395.498 | Formula: C22H29N5O2
H donors: 1 H acceptors: 3 LogP: 3.35 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(CC1Nc2ncnc(c2N(C1=O)Cc1ccc(cc1)C)N1CCOCC1)C
InChi: 1S/C22H29N5O2/c1-15(2)12-18-22(28)27(13-17-6-4-16(3)5-7-17)19-20(25-18)23-14-24-21(19)26-8-10-29-11-9-26/h4-7,14-15,18H,8-13H2,1-3H3,(H,23,24,25)
InChiKey: BPIKNRIPVICKFE-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	0.0256	0.3153	0.2239
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0266	0.038
Echinococcus granulosus	cathepsin b	0.0225	0.2646	0.3773
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0225	0.2646	0.3773
Brugia malayi	cathepsin L-like cysteine proteinase	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0135	0.1179	0.1012
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Brugia malayi	fibroinase precursor	0.0094	0.0521	0.0743
Echinococcus granulosus	cathepsin l1	0.0493	0.7014	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0493	0.7014	1
Brugia malayi	Papain family cysteine protease containing protein	0.0256	0.3153	0.4496
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0521	0.0743
Plasmodium vivax	vivapain-3	0.0256	0.3153	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0493	0.7014	1
Brugia malayi	calpain family protein 1	0.0107	0.0725	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1618	0.2307
Brugia malayi	Cathepsin L-like precursor	0.0331	0.4382	0.6247
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0256	0.3153	0.4054
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0094	0.0521	0.0743
Brugia malayi	Cathepsin L-like precursor	0.0493	0.7014	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1618	0.2307
Trypanosoma cruzi	cysteine peptidase, putative	0.0493	0.7014	0.6849
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0094	0.0521	0.0743
Entamoeba histolytica	cysteine proteinase, putative	0.0493	0.7014	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0493	0.7014	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0118	0.0909	0.1297
Leishmania major	cathepsin L-like protease	0.0493	0.7014	0.6615
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0162	0.1618	0.2307
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0094	0.0521	0.0743
Echinococcus multilocularis	calpain family protein 1, d	0.0079	0.0266	0.038
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0094	0.0521	0.0743
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0493	0.7014	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0162	0.1618	0.1157
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0094	0.0521	0.0743
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0256	0.3153	0.4496
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0493	0.7014	1
Brugia malayi	Papain family cysteine protease containing protein	0.0493	0.7014	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0331	0.4382	0.6247
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0135	0.1179	0.168
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0493	0.7014	1
Brugia malayi	cathepsin L-like precursor	0.0331	0.4382	0.6247
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0094	0.0521	0.0743
Entamoeba histolytica	cysteine proteinase 2	0.0256	0.3153	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2646	0.3773
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0094	0.0521	0.0743
Entamoeba histolytica	cysteine proteinase, putative	0.0256	0.3153	0.4054
Echinococcus granulosus	cathepsin L	0.0256	0.3153	0.4496
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0493	0.7014	1
Leishmania major	cathepsin L-like protease	0.0493	0.7014	0.6615
Plasmodium vivax	unspecified product	0.0256	0.3153	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Brugia malayi	calpain family protein 1	0.0107	0.0725	0.1034
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0515	0.7368	0.7223
Giardia lamblia	Cathepsin B precursor	0.0135	0.1179	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Entamoeba histolytica	cysteine proteinase, putative	0.0256	0.3153	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0094	0.0521	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0521	0.0743
Schistosoma mansoni	cathepsin D (A01 family)	0.0151	0.144	0.2054
Schistosoma mansoni	cathepsin B (C01 family)	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0493	0.7014	1
Onchocerca volvulus		0.0493	0.7014	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0225	0.2646	0.3773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0331	0.4382	0.5946
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0118	0.0909	0.1297
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0493	0.7014	1
Loa Loa (eye worm)	hypothetical protein	0.0331	0.4382	0.6247
Trypanosoma cruzi	cysteine proteinase, putative	0.0256	0.3153	0.2777
Onchocerca volvulus		0.0493	0.7014	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0256	0.3153	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0493	0.7014	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0528	0.0753
Trypanosoma cruzi	cysteine proteinase, putative	0.0256	0.3153	0.2777
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0725	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0493	0.7014	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0069	0.0099
Schistosoma mansoni	cathepsin C	0.0094	0.0521	0.0743
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0094	0.0521	0.0743
Echinococcus multilocularis	cysteine protease	0.0493	0.7014	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0493	0.7014	1
Brugia malayi	Papain family cysteine protease containing protein	0.0256	0.3153	0.4496
Loa Loa (eye worm)	cysteine protease	0.0493	0.7014	1
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0493	0.7014	1
Onchocerca volvulus	Cathepsin L homolog	0.0493	0.7014	1
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0094	0.0521	0.0743
Giardia lamblia	Cathepsin B precursor	0.0135	0.1179	1
Entamoeba histolytica	cysteine proteinase, putative	0.0331	0.4382	0.5946
Plasmodium vivax	vivapain-1	0.0256	0.3153	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0331	0.4382	0.5946
Echinococcus granulosus	cathepsin L cysteine protease	0.0256	0.3153	0.4496
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0493	0.7014	1
Onchocerca volvulus		0.0493	0.7014	1
Loa Loa (eye worm)	cathepsin B	0.0135	0.1179	0.168
Echinococcus granulosus	cathepsin L	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Schistosoma mansoni	cathepsin s	0.0162	0.1618	0.2307
Echinococcus granulosus	cathepsin b	0.0225	0.2646	0.3773
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0094	0.0521	0.0743
Entamoeba histolytica	cysteine proteinase, putative	0.0493	0.7014	1
Loa Loa (eye worm)	ctsf protein	0.0493	0.7014	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0256	0.3153	0.4496
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Echinococcus multilocularis	cysteine protease	0.0493	0.7014	1
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0118	0.0909	0.1297
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0256	0.3153	0.2777
Loa Loa (eye worm)	calpain family protein 1	0.0079	0.0266	0.038
Entamoeba histolytica	cysteine protease, putative	0.0493	0.7014	1
Leishmania major	cathepsin L-like protease	0.0493	0.7014	0.6615
Plasmodium vivax	vivapain-2	0.0493	0.7014	1
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0331	0.4382	0.6247
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0493	0.7014	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0256	0.3153	0.4496
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Echinococcus multilocularis	calpain A	0.0119	0.0917	0.1307
Brugia malayi	cathepsin F-like cysteine proteinase	0.0162	0.1618	0.2307
Entamoeba histolytica	cysteine proteinase, putative	0.0256	0.3153	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0493	0.7014	1
Onchocerca volvulus		0.0331	0.4382	0.6247
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0225	0.2646	0.3773
Loa Loa (eye worm)	calpain family protein 1	0.0107	0.0725	0.1034
Leishmania major	cysteine peptidase A (CPA)	0.0493	0.7014	0.6615
Echinococcus multilocularis	cathepsin L	0.0094	0.0521	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0331	0.4382	0.6247
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0493	0.7014	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0118	0.0909	0.1297
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Onchocerca volvulus		0.0493	0.7014	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0256	0.3153	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0521	0.0743
Onchocerca volvulus		0.0066	0.0069	0.0099
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Echinococcus multilocularis	cathepsin b	0.0225	0.2646	0.3773
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Onchocerca volvulus		0.0493	0.7014	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0225	0.2646	0.2242
Echinococcus multilocularis	cathepsin L	0.0256	0.3153	0.4496
Giardia lamblia	Cathepsin B precursor	0.0135	0.1179	1
Brugia malayi	Cathepsin L-like precursor	0.0331	0.4382	0.6247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0493	0.7014	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0225	0.2646	0.3773
Brugia malayi	Papain family cysteine protease containing protein	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Leishmania major	cathepsin L-like protease	0.0493	0.7014	0.6615
Brugia malayi	Cathepsin L-like precursor	0.0162	0.1618	0.2307
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0225	0.2646	0.3773
Brugia malayi	Papain family cysteine protease containing protein	0.0094	0.0521	0.0743
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Onchocerca volvulus		0.0094	0.0521	0.0743
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0493	0.7014	1
Leishmania major	cathepsin L-like protease	0.0493	0.7014	0.6615
Brugia malayi	cathepsin F-like cysteine proteinase	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0256	0.3153	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0493	0.7014	1
Echinococcus granulosus	cysteine protease	0.0256	0.3153	0.4496
Echinococcus granulosus	cathepsin l1	0.0331	0.4382	0.6247
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0493	0.7014	1
Onchocerca volvulus		0.0493	0.7014	1
Echinococcus multilocularis	cathepsin b	0.0225	0.2646	0.3773
Trypanosoma cruzi	major cysteine proteinase, putative	0.0278	0.3508	0.3151
Entamoeba histolytica	cysteine proteinase, putative	0.0256	0.3153	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0493	0.7014	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0256	0.3153	0.2239
Loa Loa (eye worm)	hypothetical protein	0.0331	0.4382	0.6247
Plasmodium vivax	unspecified product	0.0162	0.1618	0.169
Loa Loa (eye worm)	hypothetical protein	0.0493	0.7014	1
Onchocerca volvulus	Cathepsin F homolog	0.0493	0.7014	1
Brugia malayi	cathepsin L precursor	0.0094	0.0521	0.0743
Toxoplasma gondii	cathepsin B	0.0135	0.1179	0.1012
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0493	0.7014	1
Onchocerca volvulus	Cathepsin L homolog	0.0493	0.7014	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0256	0.3153	0.2777
Entamoeba histolytica	cysteine protease, putative	0.0256	0.3153	0.4054
Echinococcus granulosus	calpain A	0.0119	0.0917	0.1307
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0094	0.0521	0.0743
Brugia malayi	Cathepsin L-like precursor	0.0493	0.7014	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0162	0.1618	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1618	0.2307
Onchocerca volvulus		0.0493	0.7014	1
Loa Loa (eye worm)	fibroinase	0.0493	0.7014	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Brugia malayi	Cathepsin L-like precursor	0.0493	0.7014	1
Onchocerca volvulus	Cathepsin L homolog	0.0094	0.0521	0.0743
Brugia malayi	Cathepsin L-like precursor	0.0493	0.7014	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0107	0.0725	0.1034
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0493	0.7014	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0493	0.7014	1
Trypanosoma cruzi	cysteine protease, putative	0.0256	0.3153	0.2777
Plasmodium vivax	vivapain-2	0.0493	0.7014	1
Brugia malayi	Cathepsin L-like precursor	0.0493	0.7014	1
Toxoplasma gondii	cathepsin CPL	0.0493	0.7014	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0135	0.1179	0.0693
Brugia malayi	Papain family cysteine protease containing protein	0.0094	0.0521	0.0743
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0493	0.7014	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0094	0.0521	0.0743
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0162	0.1618	0.2307
Schistosoma mansoni	cathepsin D (A01 family)	0.0151	0.144	0.2054
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0521	0.0743

Activities

No activities found for this compound.

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: CHEMBL1708284

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1517053