TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 381.471 | Formula: C21H27N5O2
H donors: 1 H acceptors: 3 LogP: 3.47 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O/C(=C\1/C(=Nc2n(C1c1ccc(cc1)N(C)C)ncn2)C)/OC1CCCCC1
InChi: 1S/C21H27N5O2/c1-14-18(20(27)28-17-7-5-4-6-8-17)19(26-21(24-14)22-13-23-26)15-9-11-16(12-10-15)25(2)3/h9-13,17,19,27H,4-8H2,1-3H3
InChiKey: FXECNOUKLSWQLU-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
Leishmania major	cathepsin L-like protease	0.1802	0.5294	1
Onchocerca volvulus	Cathepsin L homolog	0.1802	0.5294	1
Brugia malayi	Cathepsin L-like precursor	0.1802	0.5294	0.5294
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Loa Loa (eye worm)	ctsf protein	0.1802	0.5294	0.5294
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Echinococcus granulosus	cathepsin l1	0.1233	0.3148	0.3148
Leishmania major	cathepsin L-like protease	0.1802	0.5294	1
Onchocerca volvulus		0.1802	0.5294	1
Brugia malayi	Cathepsin L-like precursor	0.1233	0.3148	0.3148
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1802	0.5294	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.1802	0.5294	0.5294
Trypanosoma cruzi	cysteine protease, putative	0.0968	0.2146	0.2146
Onchocerca volvulus		0.1802	0.5294	1
Loa Loa (eye worm)	hypothetical protein	0.3048	1	1
Loa Loa (eye worm)	hypothetical protein	0.1233	0.3148	0.3148
Leishmania major	cathepsin L-like protease	0.1802	0.5294	1
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.1802	0.5294	0.5294
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0968	0.2146	0.2146
Entamoeba histolytica	cysteine proteinase, putative	0.0968	0.2146	0.4054
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.3048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0569	0.0639	0.0639
Loa Loa (eye worm)	hypothetical protein	0.1233	0.3148	0.3148
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Loa Loa (eye worm)	cysteine protease	0.1802	0.5294	0.5294
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Brugia malayi	Papain family cysteine protease containing protein	0.0968	0.2146	0.2146
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.3048	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0528	0.0485	0.0485
Brugia malayi	Cathepsin L-like precursor	0.1802	0.5294	0.5294
Trypanosoma cruzi	cysteine peptidase, putative	0.0569	0.0639	0.0639
Echinococcus granulosus	cathepsin b	0.3048	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3048	1	1
Echinococcus granulosus	cysteine protease	0.0968	0.2146	0.2146
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0968	0.2146	0.2146
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Plasmodium vivax	vivapain-1	0.0968	0.2146	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.1802	0.5294	0.5294
Entamoeba histolytica	cysteine proteinase 2	0.0968	0.2146	0.4054
Entamoeba histolytica	cysteine proteinase 1, putative	0.0968	0.2146	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.1802	0.5294	0.5294
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1802	0.5294	1
Schistosoma mansoni	cathepsin F (C01 family)	0.1802	0.5294	0.5294
Onchocerca volvulus		0.1233	0.3148	0.5946
Trypanosoma brucei	cysteine peptidase C (CPC)	0.1218	0.3093	0.3006
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1802	0.5294	0.5294
Loa Loa (eye worm)	hypothetical protein	0.1802	0.5294	0.5294
Brugia malayi	Cathepsin L-like cysteine proteinase	0.1233	0.3148	0.3148
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Leishmania major	cathepsin L-like protease	0.1802	0.5294	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.1802	0.5294	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0569	0.0639	0.0639
Onchocerca volvulus		0.1802	0.5294	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Leishmania major	cathepsin L-like protease	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3048	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0968	0.2146	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Plasmodium vivax	unspecified product	0.0569	0.0639	0.1207
Trypanosoma cruzi	cruzipain precursor, putative	0.1802	0.5294	0.5294
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0483	0.0318	0.0318
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1802	0.5294	1
Leishmania major	cathepsin L-like protease	0.1802	0.5294	1
Loa Loa (eye worm)	hypothetical protein	0.0569	0.0639	0.0639
Trypanosoma cruzi	cruzipain precursor, putative	0.0569	0.0639	0.0639
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.1802	0.5294	1
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Toxoplasma gondii	cathepsin B	0.1218	0.3093	0.5842
Brugia malayi	cathepsin L-like precursor	0.1233	0.3148	0.3148
Echinococcus granulosus	cathepsin L cysteine protease	0.0968	0.2146	0.2146
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1802	0.5294	1
Echinococcus multilocularis	cathepsin L	0.0968	0.2146	0.2146
Brugia malayi	Cathepsin L-like precursor	0.1802	0.5294	0.5294
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.1233	0.3148	0.3148
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0968	0.2146	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.1802	0.5294	0.5294
Brugia malayi	Cathepsin L-like precursor	0.0569	0.0639	0.0639
Schistosoma mansoni	cathepsin F (C01 family)	0.1233	0.3148	0.3148
Schistosoma mansoni	voltage-gated potassium channel	0.0528	0.0485	0.0485
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0968	0.2146	0.2146
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1218	0.3093	0.3093
Trypanosoma cruzi	cysteine peptidase, putative	0.1802	0.5294	0.5294
Onchocerca volvulus		0.1802	0.5294	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0452	0.0198	0.0373
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Loa Loa (eye worm)	hypothetical protein	0.042	0.0077	0.0077
Trypanosoma cruzi	cysteine proteinase, putative	0.0968	0.2146	0.2146
Echinococcus granulosus	cathepsin l cysteine peptidase	0.1802	0.5294	0.5294
Plasmodium vivax	vivapain-3	0.0968	0.2146	0.4054
Schistosoma mansoni	cathepsin s	0.0569	0.0639	0.0639
Onchocerca volvulus	Cathepsin F homolog	0.1802	0.5294	1
Plasmodium vivax	unspecified product	0.0968	0.2146	0.4054
Leishmania major	cysteine peptidase A (CPA)	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1802	0.5294	1
Loa Loa (eye worm)	hypothetical protein	0.1233	0.3148	0.3148
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Brugia malayi	Papain family cysteine protease containing protein	0.0968	0.2146	0.2146
Echinococcus multilocularis	cathepsin b	0.3048	1	1
Brugia malayi	Cathepsin L-like precursor	0.1802	0.5294	0.5294
Leishmania major	cathepsin L-like protease	0.1802	0.5294	1
Schistosoma mansoni	cathepsin F (C01 family)	0.1802	0.5294	0.5294
Echinococcus multilocularis	cathepsin b	0.3048	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0569	0.0639	0.0639
Loa Loa (eye worm)	cathepsin B	0.1218	0.3093	0.3093
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0483	0.0318	0.0318
Trypanosoma cruzi	cysteine peptidase, putative	0.0968	0.2146	0.2146
Echinococcus multilocularis	cathepsin L cysteine protease	0.1802	0.5294	0.5294
Trypanosoma cruzi	cysteine peptidase, putative	0.1802	0.5294	0.5294
Echinococcus granulosus	cathepsin l1	0.1802	0.5294	0.5294
Onchocerca volvulus		0.1802	0.5294	1
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Brugia malayi	Cathepsin L-like precursor	0.1233	0.3148	0.3148
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0452	0.0198	0.0373
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1233	0.3148	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Echinococcus granulosus	cathepsin L	0.0968	0.2146	0.2146
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0968	0.2146	0.2146
Echinococcus granulosus	cathepsin b	0.3048	1	1
Entamoeba histolytica	cysteine protease, putative	0.0968	0.2146	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3048	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0968	0.2146	0.2146
Plasmodium vivax	vivapain-2	0.1802	0.5294	1
Entamoeba histolytica	cysteine proteinase, putative	0.0968	0.2146	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0569	0.0639	0.0639
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1218	0.3093	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1802	0.5294	1
Loa Loa (eye worm)	hypothetical protein	0.0569	0.0639	0.0639
Echinococcus multilocularis	cysteine protease	0.1802	0.5294	0.5294
Entamoeba histolytica	cysteine proteinase, putative	0.1233	0.3148	0.5946
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1802	0.5294	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0483	0.0318	0.0318
Giardia lamblia	Cathepsin B precursor	0.1218	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0968	0.2146	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1802	0.5294	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.1802	0.5294	1
Entamoeba histolytica	cysteine proteinase, putative	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1233	0.3148	0.5946
Loa Loa (eye worm)	fibroinase	0.1802	0.5294	0.5294
Brugia malayi	Cathepsin L-like precursor	0.1802	0.5294	0.5294
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Entamoeba histolytica	cysteine protease, putative	0.1802	0.5294	1
Leishmania major	cathepsin L-like protease	0.1802	0.5294	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.1218	0.3093	0.5842
Giardia lamblia	Cathepsin B precursor	0.1218	0.3093	1
Entamoeba histolytica	cysteine proteinase, putative	0.1802	0.5294	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0483	0.0318	0.0318
Onchocerca volvulus		0.1802	0.5294	1
Giardia lamblia	Cathepsin B precursor	0.1218	0.3093	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Echinococcus multilocularis	cysteine protease	0.1802	0.5294	0.5294
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1802	0.5294	0.5294
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1802	0.5294	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.1802	0.5294	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.1802	0.5294	0.5294
Trypanosoma cruzi	cysteine peptidase, putative	0.1802	0.5294	0.5294
Brugia malayi	Cathepsin L-like precursor	0.1802	0.5294	0.5294
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0968	0.2146	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0968	0.2146	0.4054
Toxoplasma gondii	cathepsin CPL	0.1802	0.5294	1
Plasmodium vivax	vivapain-2	0.1802	0.5294	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1802	0.5294	1
Onchocerca volvulus		0.1802	0.5294	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 899201