TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.405 | Formula: C19H24N2O4
H donors: 1 H acceptors: 1 LogP: 2.29 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1O[C@@H](c1cccc(n1)OC)[C@H]1OCCNC1
InChi: 1S/C19H24N2O4/c1-3-23-15-8-4-5-9-16(15)25-19(17-13-20-11-12-24-17)14-7-6-10-18(21-14)22-2/h4-10,17,19-20H,3,11-13H2,1-2H3/t17-,19-/m0/s1
InChiKey: HTJVDZSETPCPGD-HKUYNNGSSA-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
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0444	0.14
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.003	0.0425	0.1607
Loa Loa (eye worm)	hypothetical protein	0.003	0.0429	0.2017
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.003	0.0425	0.0384
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0088	0.1801	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.2128	0.3201
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.055	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Plasmodium falciparum	hexose transporter	0.0102	0.2128	0.2094
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Leishmania major	protein kinase, putative	0.0031	0.0444	0.7919
Schistosoma mansoni	peptidase Clp (S14 family)	0.0088	0.1801	0.6126
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0088	0.1801	1
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0031	0.0445	0.0404
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0431	1	1
Loa Loa (eye worm)	doublecortin family protein	0.0022	0.0238	0.1119
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0454	0.8107
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.7264
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Echinococcus multilocularis	RUN	0.0022	0.0238	0.0682
Echinococcus granulosus	Polycystic kidney disease protein	0.0022	0.0238	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0238	0.1119
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0454	0.8107
Plasmodium vivax	hexose transporter	0.0102	0.2128	0.2094
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0243	0.114
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.003	0.0429	0.1347
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0454	0.1973
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.14
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0088	0.1801	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.055	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.7264
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.055	1
Plasmodium falciparum	LCCL domain-containing protein	0.0022	0.0238	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0454	0.8107
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.055	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0031	0.0445	0.0617
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.055	1
Schistosoma mansoni	rab6-interacting	0.0022	0.0238	0.0682
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0243	0.395
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0164	0.3622	0.3595
Schistosoma mansoni	loxhd1	0.0022	0.0238	0.0682
Echinococcus multilocularis	Polycystic kidney disease protein	0.0022	0.0238	0.0682
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.003	0.0429	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Brugia malayi	hypothetical protein	0.0022	0.0238	0.0939
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.055	0.051
Schistosoma mansoni	lipoxygenase	0.0094	0.1947	0.6633
Giardia lamblia	Prolyl-tRNA synthetase	0.003	0.0429	1
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.003	0.0429	0.1855
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.003	0.0425	0.0384
Loa Loa (eye worm)	hypothetical protein	0.003	0.0429	0.2017
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.7264
Loa Loa (eye worm)	sugar transporter	0.0014	0.0042	0.0199
Trichomonas vaginalis	CAMK family protein kinase	0.0031	0.0444	0.1927
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0238	0.0682
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0454	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0031	0.0445	0.0404
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0243	0.0308
Plasmodium vivax	multidomain scavenger receptor, putative	0.0022	0.0238	0.0197
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0031	0.0445	0.0404
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0031	0.0445	0.0404
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.14
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.14
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0238	0.1119
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0031	0.0445	0.0404
Brugia malayi	Cam kinase protein 1	0.0031	0.0444	0.1927
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.14
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Schistosoma mansoni	protein kinase	0.0031	0.0444	0.14
Brugia malayi	hypothetical protein	0.0022	0.0238	0.0939
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.003	0.0429	0.1634
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0454	0.8107
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0243	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0243	0.1141
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0238	0.0682
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0031	0.0445	0.0617
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0454	0.8107
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0454	0.1973
Schistosoma mansoni	glucose transport protein	0.0102	0.2128	0.7264
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0031	0.0444	0.2088
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0293	0.1375
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0243	0.114
Schistosoma mansoni	hypothetical protein	0.0022	0.0238	0.0682
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0031	0.0445	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0088	0.1801	0.6126
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.055	1
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0243	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Schistosoma mansoni	protein kinase	0.0031	0.0444	0.14
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0058	0.1078	0.3606
Brugia malayi	Doublecortin family protein	0.0022	0.0238	0.0939
Echinococcus granulosus	peptidase Clp S14 family	0.0058	0.1078	0.3606
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0243	0.0961
Onchocerca volvulus		0.0022	0.0238	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.2128	0.7264
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0134	0.2913	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.7264
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0088	0.1801	1
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0161	0.1148
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2128	1
Leishmania major	glucose transporter, lmgt1	0.0032	0.0454	0.8107
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0088	0.1801	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0088	0.1801	0.6126
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0164	0.3622	0.3595
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Entamoeba histolytica	protein kinase, putative	0.0031	0.0444	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0058	0.1078	0.5588
Plasmodium falciparum	protein kinase 7	0.0287	0.6557	0.6542
Schistosoma mansoni	lipoxygenase	0.0134	0.2913	1
Echinococcus multilocularis	General substrate transporter	0.0087	0.1787	0.6075
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0042	0.0199
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.055	0.051
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0243	0.0961
Schistosoma mansoni	hypothetical protein	0.0102	0.2128	0.7264
Leishmania major	glucose transporter, lmgt2	0.0032	0.0454	0.8107
Loa Loa (eye worm)	sugar transporter	0.0102	0.2128	1
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0031	0.0445	0.0404
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.003	0.0429	0.1347
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0243	0.0698
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0113	0.1383
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0088	0.1801	0.1766
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0398	0.124
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.003	0.0429	0.1855
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.7264
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0243	0.395
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0238	0.0682
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0199
Leishmania major	glucose transporter, lmgt3	0.0032	0.0454	0.8107
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.003	0.0429	0.1855
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0454	0.8107
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.14
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0243	0.5182
Toxoplasma gondii	protein kinase, putative	0.0287	0.6557	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0454	0.8107
Brugia malayi	Sugar transporter family protein	0.0102	0.2128	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0454	0.1973
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0088	0.1801	0.27
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0243	0.0201
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0243	0.0698
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0243	0.0498
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0031	0.0444	0.7919
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0042	0.0199
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0238	0.0682
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Echinococcus granulosus	General substrate transporter	0.0087	0.1787	0.6075
Schistosoma mansoni	glucose transport protein	0.0102	0.2128	0.7264
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0134	0.2913	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.14
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0243	0.0201
Schistosoma mansoni	glucose transport protein	0.0102	0.2128	0.7264
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0164	0.3622	0.5495
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.7264
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0454	0.1973
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0088	0.1801	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0058	0.1078	1
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0031	0.0445	0.0404
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0058	0.1078	1
Onchocerca volvulus		0.0022	0.0238	1
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0398	0.124
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0031	0.0444	0.1927
Toxoplasma gondii	hypothetical protein	0.003	0.0425	0.0587
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0176	0.0641
Schistosoma mansoni	rab6-interacting	0.0022	0.0238	0.0682
Entamoeba histolytica	protein kinase, putative	0.0031	0.0444	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0088	0.1801	0.1766
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0243	0.395
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0161	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1801	0.8465
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2128	0.7264
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0454	0.8107
Echinococcus granulosus	RUN	0.0022	0.0238	0.0682
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0454	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0444	0.2088
Schistosoma mansoni	polycystin 1-related	0.0022	0.0238	0.0682
Trypanosoma cruzi	hexose transporter	0.0032	0.0454	0.8107
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0031	0.0445	0.0404
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0088	0.1801	0.27
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0031	0.0444	0.2088
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0031	0.0444	0.14
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0088	0.1801	1
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.003	0.0429	0.1347
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0454	0.1973
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0444	0.14
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0031	0.0445	0.0404
Brugia malayi	Probable ClpP-like protease	0.0088	0.1801	0.8433
Schistosoma mansoni	protein kinase	0.0031	0.0444	0.14
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.003	0.0429	0.9253
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0454	0.8107

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 28 nM	Binding affinity at NET	ChEMBL.	18805691
Activity (binding)	= 676 nM	Binding affinity at SERT	ChEMBL.	18805691

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: CHEMBL504544

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 1001442