TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 471.564 | Formula: C26H34FN3O4
H donors: 1 H acceptors: 2 LogP: 3.08 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@@H]1CN(C)C(=O)c2ccc(cc2OC[C@H](N(C[C@H]1C)Cc1ccccc1F)C)NC(=O)C
InChi: 1S/C26H34FN3O4/c1-17-13-30(14-20-8-6-7-9-23(20)27)18(2)16-34-24-12-21(28-19(3)31)10-11-22(24)26(32)29(4)15-25(17)33-5/h6-12,17-18,25H,13-16H2,1-5H3,(H,28,31)/t17-,18-,25-/m1/s1
InChiKey: BEBQDKOSRNKXPA-QJMRKGMQSA-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 cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0575	0.9775	1
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0152	0.0152
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-13	0.0079	0.1151	0.1178
Echinococcus granulosus	FK506 binding protein 8 38 kDa	0.0079	0.1151	0.1151
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0027	0.0028
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0022	0.0152	0.0156
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0152	0.1321
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0575	0.9775	1
Entamoeba histolytica	cysteine proteinase, putative	0.0015	0.0027	0.0027
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0152	0.0156
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0588	1	1
Schistosoma mansoni	hypothetical protein	0.0079	0.1151	0.1151
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0079	0.1151	0.1151
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0022	0.0152	0.0152
Trichomonas vaginalis	fk506-binding protein, putative	0.0079	0.1151	0.1178
Trichomonas vaginalis	fk506-binding protein, putative	0.0575	0.9775	1
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0575	0.9775	0.9775
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD)	0.0079	0.1151	0.1178
Trypanosoma cruzi	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Trypanosoma brucei	hypothetical protein, conserved	0.0079	0.1151	0.1178
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0027	0.0028
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Echinococcus multilocularis	fk506 binding protein	0.0575	0.9775	0.9775
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0575	0.9775	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0152	0.0156
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0079	0.1151	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0575	0.9775	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0152	0.0156
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0152	0.0156
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0079	0.1151	0.1178
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-33	0.0079	0.1151	0.1178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0152	0.0156
Toxoplasma gondii	cathepsin CPL	0.0022	0.0152	0.1321
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0575	0.9775	1
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0575	0.9775	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0027	0.0028
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0022	0.0152	0.0156
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0015	0.0027	0.0028
Onchocerca volvulus	Cathepsin F homolog	0.0022	0.0152	0.1321
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0575	0.9775	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0022	0.0152	0.0156
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0575	0.9775	1
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0079	0.1151	1
Leishmania major	peptidylprolyl isomerase-like protein	0.0575	0.9775	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.1151	0.1178
Schistosoma mansoni	immunophilin	0.0588	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0152	0.1321
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30	0.0079	0.1151	0.1178
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-30	0.0079	0.1151	0.1178
Onchocerca volvulus		0.0022	0.0152	0.1321
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.1151	0.1178
Trypanosoma brucei	macrophage infectivity potentiator, precursor, putative	0.0079	0.1151	0.1178
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Giardia lamblia	Hypothetical protein	0.0079	0.1151	0.1178
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0079	0.1151	0.1178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Leishmania major	cysteine peptidase A (CPA)	0.0022	0.0152	0.0156
Toxoplasma gondii	peptidyl-prolyl isomerase FKBP12, putative	0.0079	0.1151	1
Leishmania major	cathepsin L-like protease	0.0022	0.0152	0.0156
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0152	0.0156
Echinococcus multilocularis	FK506 binding protein 8, 38 kDa	0.0092	0.1376	0.1376
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0022	0.0152	0.0152
Echinococcus multilocularis	cysteine protease	0.0022	0.0152	0.0152
Leishmania major	FKBP-type peptidyl-prolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Onchocerca volvulus		0.0022	0.0152	0.1321
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0152	0.0156
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0152	0.0156
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0152	0.0152
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0152	0.0152
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0152	0.0156
Mycobacterium tuberculosis	Probable trigger factor (TF) protein Tig	0.0079	0.1151	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0152	0.0156
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Echinococcus granulosus	cathepsin l1	0.0015	0.0027	0.0027
Schistosoma mansoni	cathepsin F (C01 family)	0.0015	0.0027	0.0027
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0509	0.8624	0.8624
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0152	0.0156
Onchocerca volvulus		0.0022	0.0152	0.1321
Plasmodium vivax	vivapain-2	0.0022	0.0152	0.0156
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Loa Loa (eye worm)	FKBP5 protein	0.0575	0.9775	1
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0027	0.0028
Leishmania major	fk506-binding protein 1-like protein	0.0575	0.9775	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1151	0.1178
Onchocerca volvulus		0.0022	0.0152	0.1321
Leishmania major	cathepsin L-like protease	0.0022	0.0152	0.0156
Onchocerca volvulus		0.0013	0	0.0004
Schistosoma mansoni	fk506 binding protein	0.0079	0.1151	0.1151
Plasmodium vivax	peptidyl-prolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0152	0.0152
Trichomonas vaginalis	immunophilin, putative	0.0575	0.9775	1
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0575	0.9775	1
Loa Loa (eye worm)	fibroinase	0.0022	0.0152	0.0156
Echinococcus granulosus	cathepsin l1	0.0022	0.0152	0.0152
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13	0.0079	0.1151	0.1178
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0575	0.9775	1
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0575	0.9775	0.9775
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0152	0.0156
Loa Loa (eye worm)	ctsf protein	0.0022	0.0152	0.0156
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0079	0.1151	0.1151
Entamoeba histolytica	cysteine protease, putative	0.0022	0.0152	0.0152
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0152	0.0156
Trypanosoma cruzi	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Leishmania major	peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative	0.0079	0.1151	0.1178
Leishmania major	cathepsin L-like protease	0.0022	0.0152	0.0156
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0152	0.0156
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0588	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0027	0.0028
Mycobacterium leprae	PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG	0.0079	0.1151	0.5
Onchocerca volvulus		0.0015	0.0027	0.0238
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0152	0.0152
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0575	0.9775	1
Plasmodium vivax	vivapain-2	0.0022	0.0152	0.0156
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0152	0.0156
Echinococcus granulosus	FK506 binding protein 2	0.0079	0.1151	0.1151
Leishmania major	cathepsin L-like protease	0.0022	0.0152	0.0156
Trypanosoma brucei	FKBP-type peptidylprolyl cis-trans isomerase, putative	0.0079	0.1151	0.1178
Trypanosoma cruzi	macrophage infectivity potentiator, precursor, putative	0.0079	0.1151	0.1178
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0079	0.1151	0.5
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0575	0.9775	1
Leishmania major	cathepsin L-like protease	0.0022	0.0152	0.0156
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0152	0.0152
Leishmania major	cathepsin L-like protease	0.0022	0.0152	0.0156
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0575	0.9775	1
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0079	0.1151	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0588	1	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0509	0.8624	0.8624
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0022	0.0152	0.0156
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0575	0.9775	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0152	0.0152
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0079	0.1151	0.1178
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0022	0.0152	0.0156
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33	0.0079	0.1151	0.1178
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0152	0.0156
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0152	0.0156
Trypanosoma cruzi	cruzipain precursor, putative	0.0022	0.0152	0.0156
Onchocerca volvulus		0.0079	0.1151	1
Chlamydia trachomatis	peptidyl-prolyl cis-trans isomerase	0.0079	0.1151	0.5
Echinococcus multilocularis		0.0079	0.1151	0.1151
Loa Loa (eye worm)	cysteine protease	0.0022	0.0152	0.0156
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0152	0.0156
Onchocerca volvulus		0.0022	0.0152	0.1321
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0152	0.0156
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0496	0.8399	0.8593
Brugia malayi	Papain family cysteine protease containing protein	0.0022	0.0152	0.0156
Onchocerca volvulus		0.0079	0.1151	1
Onchocerca volvulus		0.0022	0.0152	0.1321
Onchocerca volvulus		0.0022	0.0152	0.1321
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0027	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0027	0.0028
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0575	0.9775	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0152	0.0156
Schistosoma mansoni	immunophilin	0.0588	1	1
Echinococcus multilocularis	cysteine protease	0.0022	0.0152	0.0152
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0575	0.9775	1
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0079	0.1151	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Trichomonas vaginalis	fk506 binding protein, putative	0.0079	0.1151	0.1178
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0015	0.0027	0.0028
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0152	0.0156
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0152	0.0156
Leishmania major	cathepsin L-like protease	0.0022	0.0152	0.0156
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0152	0.0152
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0152	0.0156
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Schistosoma mansoni	immunophilin	0.0509	0.8624	0.8624
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0152	0.0156
Leishmania major	cathepsin L-like protease	0.0022	0.0152	0.0156
Trichomonas vaginalis	fk506-binding protein, putative	0.0079	0.1151	0.1178
Brugia malayi	cathepsin L-like precursor	0.0015	0.0027	0.0028
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0575	0.9775	1

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: CHEMBL2358867

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1752717