TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 361.437 | Formula: C22H23N3O2
H donors: 1 H acceptors: 2 LogP: 5.19 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCNc1cc(N2CCC(CC2)C)c2c3c1C(=O)c1ccccc1c3on2
InChi: 1S/C22H23N3O2/c1-3-23-16-12-17(25-10-8-13(2)9-11-25)20-19-18(16)21(26)14-6-4-5-7-15(14)22(19)27-24-20/h4-7,12-13,23H,3,8-11H2,1-2H3
InChiKey: OHRWMWBLOJJELU-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	p-glycoprotein e	0.0013	0.0012	0.5
Schistosoma mansoni	hypothetical protein	0.0033	0.0091	0.0079
Schistosoma mansoni	notch	0.0033	0.0091	0.0079
Echinococcus granulosus	peroxidasin	0.0102	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Schistosoma mansoni	hypothetical protein	0.0033	0.0091	0.0079
Echinococcus granulosus	BC026374 protein S09 family	0.0429	0.1657	0.1657
Entamoeba histolytica	ABC transporter, putative	0.0013	0.0012	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Schistosoma mansoni	peroxidasin	0.0102	0.0365	0.0353
Brugia malayi	Muscle positioning protein 4	0.0033	0.0091	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Trypanosoma brucei	p-glycoprotein	0.0013	0.0012	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Schistosoma mansoni	notch	0.0033	0.0091	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Brugia malayi	Carboxylesterase family protein	0.0429	0.1657	0.1647
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Brugia malayi	Animal haem peroxidase family protein	0.0102	0.0365	0.0353
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0429	0.1657	0.1657
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0429	0.1657	0.1647
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0013	0.0012	0.5
Leishmania major	ABC-thiol transporter	0.0013	0.0012	0.5
Brugia malayi	Carboxylesterase family protein	0.2537	1	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0013	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Brugia malayi	Delta serrate ligand family protein	0.0033	0.0091	0.0079
Echinococcus multilocularis	acetylcholinesterase	0.2537	1	1
Echinococcus granulosus	neurogenic locus protein delta	0.0033	0.0091	0.0091
Brugia malayi	Carboxylesterase family protein	0.0429	0.1657	0.1647
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0429	0.1657	0.5
Brugia malayi	hypothetical protein	0.0429	0.1657	0.1647
Onchocerca volvulus		0.0102	0.0365	0.1748
Brugia malayi	EGF-like domain containing protein	0.0033	0.0091	0.0079
Onchocerca volvulus	Peroxidasin homolog	0.0102	0.0365	0.1748
Echinococcus granulosus	protein jagged 2	0.0033	0.0091	0.0091
Echinococcus multilocularis	para nitrobenzyl esterase	0.0429	0.1657	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0013	0.0012	0.0012
Schistosoma mansoni	notch	0.0033	0.0091	0.0079
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0013	0.0012	1
Brugia malayi	EGF-like domain containing protein	0.0033	0.0091	0.0079
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0033	0.0091	0.0091
Echinococcus multilocularis	neuroligin	0.0429	0.1657	0.1657
Schistosoma mansoni	septate junction protein	0.0033	0.0091	0.0079
Echinococcus multilocularis	acetylcholinesterase	0.2537	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Giardia lamblia	High cysteine protein	0.0033	0.0091	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Echinococcus multilocularis	protein jagged 1	0.0033	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.2537	1	1
Brugia malayi	hypothetical protein	0.0102	0.0365	0.0353
Echinococcus granulosus	multidrug resistance associated protein 1	0.0013	0.0012	0.0012
Brugia malayi	EGF-like domain containing protein	0.0033	0.0091	0.0079
Echinococcus multilocularis	neurogenic locus protein delta	0.0033	0.0091	0.0091
Schistosoma mansoni	hypothetical protein	0.0033	0.0091	0.0079
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0013	0.0012	0.5
Echinococcus multilocularis	protein jagged 2	0.0033	0.0091	0.0091
Brugia malayi	Cadherin domain containing protein	0.0033	0.0091	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Onchocerca volvulus	Chorion peroxidase homolog	0.0102	0.0365	0.1748
Onchocerca volvulus	Peroxidasin homolog	0.0102	0.0365	0.1748
Loa Loa (eye worm)	hypothetical protein	0.0429	0.1657	0.1656
Loa Loa (eye worm)	carboxylesterase	0.2537	1	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0429	0.1657	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Schistosoma mansoni	acetylcholinesterase	0.0429	0.1657	0.1647
Leishmania major	pentamidine resistance protein 1	0.0013	0.0012	0.5
Loa Loa (eye worm)	notch protein	0.0033	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0012	0.0011
Brugia malayi	Peroxidasin	0.0102	0.0365	0.0353
Echinococcus granulosus	protein jagged 1	0.0033	0.0091	0.0091
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0013	0.0012	0.5
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0013	0.0012	0.5
Brugia malayi	EGF-like domain containing protein	0.0033	0.0091	0.0079
Echinococcus granulosus	neurogenic locus notch protein 4	0.0033	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Trichomonas vaginalis	spcc417.12 protein, putative	0.0429	0.1657	0.5
Onchocerca volvulus		0.0429	0.1657	1
Toxoplasma gondii	EGF family domain-containing protein	0.0033	0.0091	1
Loa Loa (eye worm)	hypothetical protein	0.0429	0.1657	0.1656
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0013	0.0012	1
Giardia lamblia	MRP-like ABC transporter	0.0013	0.0012	0.0053
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2537	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0012	0.0012
Brugia malayi	Animal haem peroxidase family protein	0.0102	0.0365	0.0353
Brugia malayi	Cadherin domain containing protein	0.0033	0.0091	0.0079
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0429	0.1657	0.1647
Echinococcus granulosus	delta-like protein 1	0.0033	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Echinococcus granulosus	acetylcholinesterase	0.2537	1	1
Onchocerca volvulus	Peroxidase homolog	0.0102	0.0365	0.1748
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Giardia lamblia	ABC transporter, putative	0.0013	0.0012	0.0053
Echinococcus multilocularis	neurogenic locus protein delta	0.0033	0.0091	0.0091
Echinococcus granulosus	protein jagged 1	0.0033	0.0091	0.0091
Schistosoma mansoni	cell polarity protein	0.0033	0.0091	0.0079
Entamoeba histolytica	hypothetical protein	0.0013	0.0012	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0033	0.0091	0.0079
Echinococcus granulosus	neuroligin	0.0429	0.1657	0.1657
Echinococcus granulosus	slit 2 protein	0.0033	0.0091	0.0091
Echinococcus granulosus	neurogenic locus notch protein	0.0033	0.0091	0.0091
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0013	0.0012	0.5
Brugia malayi	EGF-like domain containing protein	0.0033	0.0091	0.0079
Trypanosoma brucei	multidrug resistance protein E	0.0013	0.0012	0.5
Schistosoma mansoni	notch	0.0033	0.0091	0.0079
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0013	0.0012	0.5
Echinococcus granulosus	acetylcholinesterase	0.2537	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0013	0.0012	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Loa Loa (eye worm)	animal heme peroxidase	0.0102	0.0365	0.0364
Schistosoma mansoni	notch	0.0033	0.0091	0.0079
Loa Loa (eye worm)	hypothetical protein	0.2537	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0429	0.1657	0.1647
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Brugia malayi	GCC2 and GCC3 family protein	0.0033	0.0091	0.0079
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0429	0.1657	0.1657
Loa Loa (eye worm)	animal heme peroxidase	0.0102	0.0365	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0429	0.1657	0.1656
Brugia malayi	Animal haem peroxidase family protein	0.0102	0.0365	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Schistosoma mansoni	laminin gamma-3 chain	0.0033	0.0091	0.0079
Mycobacterium ulcerans	carboxylesterase, LipT	0.0429	0.1657	0.5
Entamoeba histolytica	multidrug resistance protein, putative	0.0013	0.0012	0.5
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0033	0.0091	0.0079
Echinococcus multilocularis	carboxylesterase 5A	0.2537	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Brugia malayi	Calcium binding EGF domain containing protein	0.0033	0.0091	0.0079
Echinococcus granulosus	neural cadherin	0.0033	0.0091	0.0091
Brugia malayi	Carboxylesterase family protein	0.0429	0.1657	0.1647
Echinococcus granulosus	multidrug resistance associated protein 7	0.0013	0.0012	0.0012
Echinococcus granulosus	notch	0.0033	0.0091	0.0091
Brugia malayi	Blistered cuticle protein 3	0.0102	0.0365	0.0353
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0429	0.1657	0.5
Echinococcus multilocularis	notch	0.0033	0.0091	0.0091
Onchocerca volvulus		0.0429	0.1657	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Echinococcus multilocularis	peroxidasin	0.0102	0.0365	0.0365
Brugia malayi	EGF-like domain containing protein	0.0033	0.0091	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Onchocerca volvulus		0.0102	0.0365	0.1748
Brugia malayi	EGF-like domain containing protein	0.0033	0.0091	0.0079
Schistosoma mansoni	gliotactin	0.0429	0.1657	0.1647
Onchocerca volvulus	Peroxidase homolog	0.0102	0.0365	0.1748
Loa Loa (eye worm)	hypothetical protein	0.0429	0.1657	0.1656
Echinococcus multilocularis	protein jagged 1	0.0033	0.0091	0.0091
Brugia malayi	Animal haem peroxidase family protein	0.0102	0.0365	0.0353
Brugia malayi	Animal haem peroxidase family protein	0.0102	0.0365	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0033	0.0091	0.0091
Giardia lamblia	Multidrug resistance-associated protein 1	0.0013	0.0012	0.0053
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0429	0.1657	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Schistosoma mansoni	hypothetical protein	0.0033	0.0091	0.0079
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0013	0.0012	1
Schistosoma mansoni	notch	0.0033	0.0091	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Brugia malayi	Carboxylesterase family protein	0.0429	0.1657	0.1647
Loa Loa (eye worm)	hypothetical protein	0.0429	0.1657	0.1656
Echinococcus granulosus	protein jagged 2	0.0033	0.0091	0.0091
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0013	0.0012	0.5
Echinococcus granulosus	carboxylesterase 5A	0.2537	1	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0033	0.0091	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Schistosoma mansoni	slit	0.0033	0.0091	0.0079
Echinococcus multilocularis	slit 2 protein	0.0033	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0429	0.1657	0.1656
Schistosoma mansoni	hypothetical protein	0.0033	0.0091	0.0079
Schistosoma mansoni	peroxidasin	0.0102	0.0365	0.0353
Echinococcus multilocularis	neurogenic locus notch protein	0.0033	0.0091	0.0091
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0013	0.0012	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0033	0.0091	0.0079
Loa Loa (eye worm)	carboxylesterase	0.0429	0.1657	0.1656
Echinococcus multilocularis	neural cadherin	0.0033	0.0091	0.0091
Onchocerca volvulus		0.0429	0.1657	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0013	0.0012	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0102	0.0365	0.0364
Schistosoma mansoni	hypothetical protein	0.0033	0.0091	0.0079
Loa Loa (eye worm)	blistered cuticle protein 3	0.0102	0.0365	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Onchocerca volvulus	Dual oxidase homolog	0.0102	0.0365	0.1748
Schistosoma mansoni	hypothetical protein	0.0033	0.0091	0.0079
Schistosoma mansoni	BC026374 protein (S09 family)	0.0429	0.1657	0.1647
Echinococcus multilocularis	neurogenic locus notch protein	0.0033	0.0091	0.0091
Echinococcus granulosus	neurogenic locus notch protein	0.0033	0.0091	0.0091
Onchocerca volvulus		0.0429	0.1657	1
Brugia malayi	notch-like transmembrane receptor	0.0033	0.0091	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0429	0.1657	0.1647
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0013	0.0012	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0429	0.1657	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.2537	1	1
Loa Loa (eye worm)	hypothetical protein	0.0429	0.1657	0.1656
Onchocerca volvulus		0.0102	0.0365	0.1748
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0091	0.0091
Loa Loa (eye worm)	animal heme peroxidase	0.0102	0.0365	0.0364
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0013	0.0012	0.0012
Loa Loa (eye worm)	Notch2	0.0033	0.0091	0.0091
Echinococcus granulosus	fibropellin Ia	0.0033	0.0091	0.0091
Onchocerca volvulus		0.0429	0.1657	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0429	0.1657	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0365	0.0364
Echinococcus multilocularis	fibropellin Ia	0.0033	0.0091	0.0091
Loa Loa (eye worm)	carboxylesterase	0.0429	0.1657	0.1656

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 896462