TDR Targets

Basic information

Technical information

TDR Targets ID: 843023
Name: N-(3-diethylaminopropyl)-N-methyl-N'-(12-oxo- 7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazol in-2-yl)oxamide
MW: 427.54 | Formula: C23H33N5O3
H donors: 1 H acceptors: 3 LogP: 1.85 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCCN(C(=O)C(=O)Nc1ccc2c(c1)c(=O)n1c(n2)CCCCC1)C)CC
InChi: 1S/C23H33N5O3/c1-4-27(5-2)14-9-13-26(3)23(31)21(29)24-17-11-12-19-18(16-17)22(30)28-15-8-6-7-10-20(28)25-19/h11-12,16H,4-10,13-15H2,1-3H3,(H,24,29)
InChiKey: BDNAGWJBXCHKSU-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

N-(3-diethylaminopropyl)-N'-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-N-methyl-oxamide
N-(3-diethylaminopropyl)-N-methyl-N'-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)ethanediamide

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
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Brugia malayi	hypoxia-induced factor 1	0.0297	0.665	0.8514
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Onchocerca volvulus		0.0321	0.7367	0.943
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0078	0.0033	0.0042
Onchocerca volvulus		0.0168	0.2767	0.3515
Brugia malayi	excitatory GABA receptor EXP-1A	0.0168	0.2767	0.3542
Echinococcus multilocularis	tumor protein p63	0.0408	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0168	0.2767	0.3542
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0168	0.2767	0.2767
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0321	0.7367	1
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0078	0.0033	0.0042
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0297	0.665	0.8514
Onchocerca volvulus		0.0091	0.0426	0.0505
Echinococcus granulosus	nAChR subunit	0.0091	0.0426	0.0426
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0335	0.781	0.781
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Brugia malayi	hypothetical protein	0.0078	0.0033	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0426	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Echinococcus multilocularis	glycine receptor subunit beta	0.0168	0.2767	0.2767
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0168	0.2767	0.2767
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0168	0.2767	0.2767
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0168	0.2767	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0426	0.0546
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0091	0.0426	0.0578
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0168	0.2767	0.3542
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0091	0.0426	0.0546
Brugia malayi	hypothetical protein	0.0209	0.4004	0.5126
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0426	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Brugia malayi	PAS domain containing protein	0.0096	0.0587	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0259	0.5509	0.7054
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0168	0.2767	0.3542
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0168	0.2767	0.2767
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	LGC-31 protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0335	0.781	1
Schistosoma mansoni	nAChR subunit	0.0168	0.2767	0.3755
Onchocerca volvulus		0.0168	0.2767	0.3515
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0168	0.2767	0.2767
Schistosoma mansoni	acetylcholine receptor-related	0.0078	0.0033	0.0045
Echinococcus multilocularis	glycine receptor subunit beta	0.0168	0.2767	0.2767
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0243	0.5027	0.6436
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0078	0.0033	0.0042
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.6071	0.5
Schistosoma mansoni	nAChR subunit	0.0168	0.2767	0.3755
Onchocerca volvulus		0.0209	0.4004	0.5105
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0335	0.781	1
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0335	0.781	0.781
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0335	0.781	0.781
Onchocerca volvulus		0.0168	0.2767	0.3515
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0335	0.781	0.781
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0091	0.0426	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0091	0.0426	0.0546
Echinococcus multilocularis	nAChR subunit	0.0091	0.0426	0.0426
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0168	0.2767	0.2767
Onchocerca volvulus	Putative nachr subunit	0.0335	0.781	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0321	0.7367	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0168	0.2767	0.2767
Brugia malayi	bZIP transcription factor family protein	0.0266	0.5729	0.7336
Schistosoma mansoni	nAChR subunit	0.0168	0.2767	0.3755
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0426	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0426	0.0546
Brugia malayi	Cation transporter family protein	0.0321	0.7367	0.9433
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0168	0.2767	0.3542
Schistosoma mansoni	neurotransmitter gated ion channel	0.0078	0.0033	0.0045
Entamoeba histolytica	hypothetical protein	0.0091	0.0426	0.5
Loa Loa (eye worm)	ACC-1 protein	0.0168	0.2767	0.3542
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0426	0.0546
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0335	0.781	0.781
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0266	0.5729	0.5729
Loa Loa (eye worm)	hypothetical protein	0.0321	0.7367	0.9433
Brugia malayi	hypothetical protein	0.0078	0.0033	0.0042
Schistosoma mansoni	aryl hydrocarbon receptor	0.0096	0.0587	0.0797
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0168	0.2767	0.2767
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0335	0.781	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0426	0.0546
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0091	0.0426	0.0546
Loa Loa (eye worm)	acetylcholine receptor protein	0.0078	0.0033	0.0042
Schistosoma mansoni	nAChR subunit	0.0078	0.0033	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0078	0.0033	0.0042
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	GABA receptor subunit	0.0091	0.0426	0.0546
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0168	0.2767	0.2767
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0168	0.2767	0.3755
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0168	0.2767	0.3755
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0078	0.0033	0.0042
Echinococcus granulosus	jun protein	0.0266	0.5729	0.5729
Brugia malayi	hypothetical protein	0.0078	0.0033	0.0042
Schistosoma mansoni	nAChR subunit	0.0168	0.2767	0.3755
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0168	0.2767	0.3542
Brugia malayi	hypothetical protein	0.0322	0.7402	0.9477
Schistosoma mansoni	neurotransmitter gated ion channel	0.0091	0.0426	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.2767	0.3542
Echinococcus granulosus	glycine receptor subunit beta	0.0168	0.2767	0.2767
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.2767	0.3542
Schistosoma mansoni	hypothetical protein	0.0217	0.4224	0.5733
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0266	0.5729	0.5729
Loa Loa (eye worm)	hypothetical protein	0.0321	0.7367	0.9433
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.2767	0.3542
Onchocerca volvulus		0.0091	0.0426	0.0505
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0168	0.2767	0.3542
Brugia malayi	Cation transporter family protein	0.0168	0.2767	0.3542
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0078	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0322	0.7402	0.9477
Brugia malayi	Cation transporter family protein	0.0168	0.2767	0.3542
Schistosoma mansoni	nAChR subunit	0.0168	0.2767	0.3755
Echinococcus multilocularis	nAChR subunit	0.0168	0.2767	0.2767
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0078	0.0033	0.0042
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0078	0.0033	0.0045
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0168	0.2767	0.2767
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0168	0.2767	0.3755
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0078	0.0033	0.0042
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0078	0.0033	0.0033
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0091	0.0426	0.0578
Brugia malayi	hypothetical protein	0.0078	0.0033	0.0042
Brugia malayi	hypothetical protein	0.0078	0.0033	0.0042
Echinococcus granulosus	nAChR subunit	0.0168	0.2767	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0168	0.2767	0.2767
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0078	0.0033	0.0033
Schistosoma mansoni	neurotransmitter gated ion channel	0.0078	0.0033	0.0045
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0426	0.0546
Onchocerca volvulus		0.0321	0.7367	0.943
Schistosoma mansoni	single-minded	0.0096	0.0587	0.0797
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0168	0.2767	0.3542
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Echinococcus multilocularis	jun protein	0.0266	0.5729	0.5729
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0168	0.2767	0.2767
Onchocerca volvulus		0.0321	0.7367	0.943
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0335	0.781	0.781
Echinococcus granulosus	glycine receptor subunit beta	0.0168	0.2767	0.2767
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0078	0.0033	0.0033
Loa Loa (eye worm)	ACC-1 protein	0.0168	0.2767	0.3542
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Schistosoma mansoni	jun-related protein	0.0217	0.4224	0.5733
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0168	0.2767	0.3755
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0078	0.0033	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0168	0.2767	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2767	0.3542
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0078	0.0033	0.0033
Schistosoma mansoni	nAChR subunit	0.0168	0.2767	0.3755
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0168	0.2767	0.2767
Schistosoma mansoni	nAChR subunit	0.0078	0.0033	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0033	0.0042
Schistosoma mansoni	nAChR subunit	0.0168	0.2767	0.3755

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 843023