TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 285.341 | Formula: C16H19N3O2
H donors: 0 H acceptors: 2 LogP: 2.01 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCN1C(=O)OCC1Cc1ncn(c1)Cc1ccccc1
InChi: 1S/C16H19N3O2/c1-2-19-15(11-21-16(19)20)8-14-10-18(12-17-14)9-13-6-4-3-5-7-13/h3-7,10,12,15H,2,8-9,11H2,1H3
InChiKey: HAXLQPPJFIEWRR-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
Brugia malayi	Ras protein let-60	0.059	0.7822	0.7822
Trypanosoma cruzi	hypothetical protein, conserved	0.0319	0.4138	0.4138
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0319	0.4138	0.408
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0559	0.7402	0.7376
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0098	0.0098
Echinococcus multilocularis	ras gtpase	0.059	0.7822	0.7801
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0319	0.4138	0.408
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0098	0.0098
Trypanosoma cruzi	lanosterol synthase, putative	0.0726	0.9666	0.9666
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0319	0.4138	0.408
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0098	0.0098
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0319	0.4138	0.408
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0098	0.0098
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0204	0.2568	0.2568
Toxoplasma gondii	hypothetical protein	0.024	0.3066	0.2997
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0098	0.0098
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.075	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0098	0.0098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0098	0.0098
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0559	0.7402	0.7376
Onchocerca volvulus		0.0022	0.0098	0.0236
Toxoplasma gondii	hypothetical protein	0.0319	0.4138	0.408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Trichomonas vaginalis	dexras1, putative	0.059	0.7822	0.7822
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0098	0.0098
Trypanosoma brucei	lanosterol synthase	0.0726	0.9666	0.9663
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0022	0.0098	0.0098
Leishmania major	geranylgeranyltransferase, putative	0.0204	0.2568	0.2495
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0098	0.0098
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0559	0.7402	0.7376
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0204	0.2568	0.2568
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0098	0.0098
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0319	0.4138	0.4138
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0204	0.2568	0.2568
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.075	1	1
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.075	1	1
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.0204	0.2568	0.2568
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0559	0.7402	0.7402
Trichomonas vaginalis	GTP-binding protein rit, putative	0.059	0.7822	0.7822
Entamoeba histolytica	cysteine protease, putative	0.0022	0.0098	0.0098
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.024	0.3066	0.3066
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0204	0.2568	0.2495
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0098	0.0098
Trichomonas vaginalis	ras-dva small GTPase, putative	0.059	0.7822	0.7822
Entamoeba histolytica	ras-1, putative	0.059	0.7822	0.7822
Onchocerca volvulus		0.0022	0.0098	0.0236
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0098	0.0098
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0098	0.0098
Giardia lamblia	Rab geranylgeranyltransferase	0.0319	0.4138	0.2112
Loa Loa (eye worm)	cysteine protease	0.0022	0.0098	0.0098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0319	0.4138	0.4138
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Brugia malayi	Papain family cysteine protease containing protein	0.0022	0.0098	0.0098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.075	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0098	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0559	0.7402	0.7402
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.075	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Trypanosoma cruzi	protein farnesyltransferase, putative	0.075	1	1
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0559	0.7402	0.7402
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.075	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0098	0.0098
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0559	0.7402	0.7402
Leishmania major	farnesyltransferase beta subunit	0.075	1	1
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0204	0.2568	0.2568
Brugia malayi	Ras-related protein R-Ras2	0.059	0.7822	0.7822
Giardia lamblia	Rab geranylgeranyltransferase	0.0559	0.7402	0.6504
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0098	0.0098
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0204	0.2568	0.2568
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.075	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0098	0.0098
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0319	0.4138	0.4138
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0204	0.2568	0.2568
Trichomonas vaginalis	rheb, putative	0.059	0.7822	0.7822
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0022	0.0098	0.0098
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0319	0.4138	0.408
Onchocerca volvulus	Cathepsin F homolog	0.0022	0.0098	0.0236
Onchocerca volvulus		0.0022	0.0098	0.0236
Trypanosoma cruzi	lanosterol synthase, putative	0.0726	0.9666	0.9666
Loa Loa (eye worm)	Ras protein let-60	0.059	0.7822	0.7822
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0559	0.7402	0.7402
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.075	1	1
Echinococcus granulosus	ras gtpase	0.059	0.7822	0.7822
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0319	0.4138	0.4138
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0022	0.0098	0.0098
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.075	1	1
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0204	0.2568	0.2568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0098	0.0098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Entamoeba histolytica	Ras family GTPase	0.059	0.7822	0.7822
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.075	1	1
Plasmodium falciparum	geranylgeranyltransferase, putative	0.0204	0.2568	0.2495
Loa Loa (eye worm)	ctsf protein	0.0022	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0204	0.2568	0.2568
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0098	0.0098
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0098	0.0098
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0204	0.2568	0.2568
Plasmodium falciparum	geranylgeranyl transferase type2 beta subunit, putative	0.0204	0.2568	0.2495
Entamoeba histolytica	Ras family GTPase	0.059	0.7822	0.7822
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0319	0.4138	0.408
Echinococcus granulosus	cathepsin l1	0.0022	0.0098	0.0098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0098	0.0098
Trypanosoma cruzi	hypothetical protein, conserved	0.0204	0.2568	0.2568
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0098	0.0098
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0204	0.2568	0.2568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Onchocerca volvulus		0.0022	0.0098	0.0236
Trypanosoma cruzi	hypothetical protein, conserved	0.0319	0.4138	0.4138
Onchocerca volvulus		0.0319	0.4138	1
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0204	0.2568	0.2568
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.075	1	1
Trichomonas vaginalis	rap1 and, putative	0.059	0.7822	0.7822
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0559	0.7402	0.7402
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0098	0.0098
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0319	0.4138	0.408
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0204	0.2568	0.2495
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0559	0.7402	0.7402
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.0204	0.2568	0.2495
Trypanosoma cruzi	protein farnesyltransferase, putative	0.075	1	1
Loa Loa (eye worm)	fibroinase	0.0022	0.0098	0.0098
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.0204	0.2568	0.2568
Onchocerca volvulus		0.0022	0.0098	0.0236
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0547	0.7233	0.7206
Loa Loa (eye worm)	hypothetical protein	0.0204	0.2568	0.2568
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Giardia lamblia	Prenyltransferase	0.075	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0022	0.0098	0.0098
Leishmania major	lanosterol synthase, putative	0.0522	0.6899	0.6869
Trichomonas vaginalis	ral, putative	0.059	0.7822	0.7822
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.075	1	1
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0319	0.4138	0.4138
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0319	0.4138	0.408
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0319	0.4138	0.4138
Plasmodium vivax	geranylgeranyltransferase, putative	0.0204	0.2568	0.2495
Trypanosoma brucei	hypothetical protein, conserved	0.0319	0.4138	0.408
Loa Loa (eye worm)	hypothetical protein	0.059	0.7822	0.7822
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0319	0.4138	0.4138
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0098	0.0098
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0559	0.7402	0.7402
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0726	0.9666	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Trypanosoma cruzi	hypothetical protein, conserved	0.0204	0.2568	0.2568
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.075	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0098	0.0098
Onchocerca volvulus		0.0022	0.0098	0.0236
Onchocerca volvulus		0.0022	0.0098	0.0236
Plasmodium vivax	geranylgeranyl transferase type2 beta subunit, putative	0.0204	0.2568	0.2495
Trypanosoma cruzi	cruzipain precursor, putative	0.0022	0.0098	0.0098
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0204	0.2568	0.2495
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0319	0.4138	0.4138
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0098	0.0098
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.0204	0.2568	0.2495
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0098	0.0098
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0098	0.0236
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.075	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0319	0.4138	0.4138
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0319	0.4138	0.4138
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.075	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0098	0.0098
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0559	0.7402	0.7402
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0204	0.2568	0.2568

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	NA 0 uM	Effective dose of the compound for guinea pig ileum contractions	ChEMBL.	2724302

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 32734