TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 320.385 | Formula: C20H20N2O2
H donors: 0 H acceptors: 2 LogP: 3.09 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1[C@@H]2CCCN2[C@@H](C(=O)N1Cc1ccccc1)c1ccccc1
InChi: 1S/C20H20N2O2/c23-19-17-12-7-13-21(17)18(16-10-5-2-6-11-16)20(24)22(19)14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2/t17-,18+/m0/s1
InChiKey: KLNGGEMZKPTPGJ-ZWKOTPCHSA-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	Bromodomain containing protein	0.0087	0.222	0.2082
Plasmodium vivax	amine transporter, putative	0.0052	0.0998	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0307	1	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2046	0.2046
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0052	0.0998	0.0998
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0052	0.0998	0.0998
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0998	0.0998
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0052	0.0998	0.1764
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0052	0.0998	0.0998
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0998	0.0998
Treponema pallidum	sodium- and chloride- dependent transporter	0.0307	1	0.5
Trypanosoma cruzi	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0083	0.2083	0.2066
Echinococcus multilocularis	serotonin transporter	0.0307	1	1
Echinococcus granulosus	serotonin transporter	0.0307	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0052	0.0998	0.0998
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0052	0.0998	0.0838
Loa Loa (eye worm)	serotonin transporter b	0.0307	1	1
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0237	0.7527	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0052	0.0998	0.0998
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0052	0.0998	0.1764
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0052	0.0998	0.0998
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0998	0.0998
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0052	0.0998	0.0838
Toxoplasma gondii	hypothetical protein	0.0052	0.0998	0.1764
Echinococcus granulosus	sodium and chloride dependent glycine	0.0052	0.0998	0.0927
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0899	0.0899
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0307	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0998	0.0998
Brugia malayi	Inositol-1	0.0043	0.0666	0.05
Onchocerca volvulus		0.0307	1	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0052	0.0998	0.0927
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0666	0.0666
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0083	0.2083	0.2066
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0052	0.0998	0.0927
Plasmodium vivax	hypothetical protein, conserved	0.0052	0.0998	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0998	0.0998
Trichomonas vaginalis	inositol monophosphatase, putative	0.0043	0.0666	0.5
Brugia malayi	kinase, mitochondrial precursor	0.0237	0.7527	0.7483
Toxoplasma gondii	pyruvate dehydrogenase kinase, putative	0.0083	0.2083	0.7528
Brugia malayi	hypothetical protein	0.0052	0.0998	0.0838
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0052	0.0998	0.0927
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0.0508	0.5
Plasmodium falciparum	transporter, putative	0.0052	0.0998	0.5
Schistosoma mansoni	pyruvate dehydrogenase	0.0237	0.7527	0.7527
Loa Loa (eye worm)	hypothetical protein	0.0307	1	1
Loa Loa (eye worm)	hypothetical protein	0.0307	1	1
Loa Loa (eye worm)	norepinephrine transporter	0.0307	1	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0224	0.7062	0.7062
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0052	0.0998	0.0838
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0666	0.0666
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0237	0.7527	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0043	0.0666	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0052	0.0998	0.0998
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0052	0.0998	0.0927
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0998	0.0998
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0052	0.0998	0.0927
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.0666	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0821	0.0821
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0052	0.0998	0.0998
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0998	0.0998
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0069	0.1595	0.1529
Echinococcus granulosus	sodium and chloride dependent glycine	0.0052	0.0998	0.0927
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0052	0.0998	0.0927
Loa Loa (eye worm)	inositol-1	0.0043	0.0666	0.0666
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0052	0.0998	0.1764
Schistosoma mansoni	bromodomain containing protein	0.0073	0.1742	0.1742
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0052	0.0998	0.0927
Plasmodium falciparum	amino acid transporter, putative	0.0052	0.0998	0.5
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0052	0.0998	0.0927
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0052	0.0998	0.0998
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0052	0.0998	0.0927
Brugia malayi	Bromodomain containing protein	0.0044	0.0721	0.0556
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0237	0.7527	0.7508
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0042	0.0625	0.0551
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0666	0.5
Trypanosoma brucei	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0083	0.2083	0.2066
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0026	0.0078	0.0078
Schistosoma mansoni	sodium/chloride dependent transporter	0.0052	0.0998	0.0998
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0096	0.2549	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0.0508	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0052	0.0998	0.0998
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0307	1	1
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0237	0.7527	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0224	0.7062	0.7062
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0237	0.7527	0.7508
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0052	0.0998	0.0998
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0724	0.0724
Toxoplasma gondii	hypothetical protein	0.0052	0.0998	0.1764
Loa Loa (eye worm)	hypothetical protein	0.0307	1	1
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0237	0.7527	0.7508
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0666	0.5
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0043	0.0666	0.5
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.0666	0.0592
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0069	0.1595	0.1529
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.0666	0.5
Loa Loa (eye worm)	hypothetical protein	0.0237	0.7527	0.7527
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0052	0.0998	0.0838
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0052	0.0998	0.0998
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0042	0.0625	0.0551
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0052	0.0998	0.5

Activities

Activity type	Assay description	Source	Reference
Activity (ADMET)	Neurotoxicity in albino Carworth Farms No.1 mouse assessed as motor impairment at 300 mg/kg, ip after 0.5 hrs by rotarod test	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against maximal electroshock-induced seizure at 100 mg/kg, ip after 4 hrs	ChEMBL.	21862182
Activity (ADMET)	Neurotoxicity in albino Carworth Farms No.1 mouse assessed as motor impairment at 30 mg/kg, ip after 0.5 hrs by rotarod test	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against maximal electroshock-induced seizure at 300 mg/kg, ip after 4 hrs	ChEMBL.	21862182
Activity (ADMET)	Neurotoxicity in albino Carworth Farms No.1 mouse assessed as motor impairment at 300 mg/kg, ip after 4 hrs by rotarod test	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against subcutaneous metrazol-induced seizure at 300 mg/kg, ip after 4 hrs	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against subcutaneous metrazol-induced seizure at 30 mg/kg, ip after 4 hrs	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against subcutaneous metrazol-induced seizure at 100 mg/kg, ip after 0.5 hrs	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against maximal electroshock-induced seizure at 100 mg/kg, ip after 0.5 hrs	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against maximal electroshock-induced seizure at 300 mg/kg, ip after 0.5 hrs	ChEMBL.	21862182
Activity (ADMET)	Neurotoxicity in albino Carworth Farms No.1 mouse assessed as motor impairment at 100 mg/kg, ip after 0.5 hrs by rotarod test	ChEMBL.	21862182
Activity (ADMET)	Neurotoxicity in albino Carworth Farms No.1 mouse assessed as motor impairment at 30 mg/kg, ip after 4 hrs by rotarod test	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against subcutaneous metrazol-induced seizure at 300 mg/kg, ip after 0.5 hrs	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against subcutaneous metrazol-induced seizure at 30 mg/kg, ip after 0.5 hrs	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against maximal electroshock-induced seizure at 30 mg/kg, ip after 4 hrs	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against maximal electroshock-induced seizure at 30 mg/kg, ip after 0.5 hrs	ChEMBL.	21862182
Activity (functional)	Anticonvulsant activity in albino Carworth Farms No.1 mouse assessed as protection against subcutaneous metrazol-induced seizure at 100 mg/kg, ip after 4 hrs	ChEMBL.	21862182

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: CHEMBL1910777

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1006503