TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 324.417 | Formula: C20H24N2O2
H donors: 1 H acceptors: 1 LogP: 3.76 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCC/N=c/1\cc(O)c2c(o1)c1ccccc1cc2)CC
InChi: 1S/C20H24N2O2/c1-3-22(4-2)13-7-12-21-19-14-18(23)17-11-10-15-8-5-6-9-16(15)20(17)24-19/h5-6,8-11,14,23H,3-4,7,12-13H2,1-2H3/b21-19+
InChiKey: OGSULQRMLVVLQA-XUTLUUPISA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	protein kinase, DNA-activated, catalytic polypeptide	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688

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
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0756	0.0715
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0175	0.051
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.2599	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0229	0.0882
Loa Loa (eye worm)	hypothetical protein	0.0069	0.182	0.6949
Brugia malayi	Bromodomain containing protein	0.0074	0.196	0.7498
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0022	0.0229	0.0693
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0677	0.0635
Echinococcus multilocularis	zinc finger protein	0.0019	0.014	0.0096
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2599	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.2647	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0058	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0898	0.334
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.2331	0.8342
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0229	0.0722
Mycobacterium tuberculosis	Probable reductase	0.0085	0.2331	0.8342
Trypanosoma cruzi	target of rapamycin kinase 3	0.0022	0.0229	0.0723
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.2599	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0016	0.0045	0.0129
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.2599	0.7849
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.2599	1
Plasmodium falciparum	glutathione reductase	0.0037	0.074	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0229	0.0722
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0016	0.0045	0.0129
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2599	1
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.074	0.5
Schistosoma mansoni	hypothetical protein	0.002	0.0175	0.0504
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0238	0.0194
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.2647	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.2599	0.8197
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0229	0.0722
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.2599	0.2566
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2599	1
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.3171	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.2647	1
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.0045	0.0129
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0022	0.0229	0.0723
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0058	0.0166
Plasmodium vivax	glutathione reductase, putative	0.0037	0.074	0.5
Schistosoma mansoni	coup transcription factor	0.0016	0.0045	0.0129
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0229	0.0723
Trypanosoma brucei	polo-like protein kinase	0.0093	0.2599	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0022	0.0229	0.066
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.074	0.2333
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0016	0.0045	0.0129
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2599	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0677	0.0635
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0058	0.0013
Schistosoma mansoni	bromodomain containing protein	0.0062	0.1575	0.4533
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0058	0.0166
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0229	0.0882
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.2331	0.8342
Trypanosoma brucei	trypanothione reductase	0.0037	0.074	0.2846
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.1033	0.3391
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0022	0.0229	0.0185
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.1458	0.1419
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.2331	0.8342
Brugia malayi	glutathione reductase	0.0037	0.074	0.272
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0058	0.0013
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.074	0.272
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0022	0.0229	0.0693
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0229	0.0722
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.2599	0.8197
Brugia malayi	Thioredoxin reductase	0.0037	0.074	0.272
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0058	0.0013
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.2599	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0022	0.0229	0.0723
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.2647	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0022	0.0229	0.0185
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2599	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0022	0.0229	0.0693
Leishmania major	hypothetical protein, conserved	0.0114	0.3312	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.1458	0.1419
Brugia malayi	PHD-finger family protein	0.0024	0.0316	0.106
Toxoplasma gondii	thioredoxin reductase	0.0037	0.074	1
Leishmania major	trypanothione reductase	0.0037	0.074	0.2234
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0022	0.0229	0.0185
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0238	0.0684
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0022	0.0229	0.0185
Schistosoma mansoni	zinc finger protein	0.0019	0.014	0.0404
Plasmodium falciparum	thioredoxin reductase	0.0037	0.074	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0016	0.0045	0.0129
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0016	0.0045	0.0129
Schistosoma mansoni	thyroid hormone receptor	0.0016	0.0045	0.0129
Giardia lamblia	Kinase, PLK	0.0093	0.2599	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2599	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0758	0.279
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0058	0.0013
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0058	0.0166
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2599	1
Echinococcus granulosus	zinc finger protein	0.0019	0.014	0.0096
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0756	0.0715
Schistosoma mansoni	kinase	0.0047	0.1074	0.309
Schistosoma mansoni	RAR-like nuclear receptor	0.0016	0.0045	0.0129
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0229	0.0882
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.005
Loa Loa (eye worm)	glutathione reductase	0.0037	0.074	0.272
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0022	0.0229	0.0693
Brugia malayi	Bromodomain containing protein	0.0038	0.0755	0.2781
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.1033	0.3391
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0238	0.0194
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.2331	0.8342
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0016	0.0045	0.0129
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.2599	0.7479
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0078	0.0128
Loa Loa (eye worm)	hypothetical protein	0.004	0.0835	0.3094
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.0045	0.0129
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0022	0.0229	0.066
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.2331	0.8342
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0229	0.0723
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.2599	0.2566
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0016	0.0045	0.0129
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0229	0.0882
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0016	0.0045	0.0129
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0022	0.0229	0.0693
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0229	0.0882

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822
IC50 (binding)	> 10 uM	Inhibitory activity against DNA-dependent protein kinase receptor	ChEMBL.	16302822

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.

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Detailed information for compound 347287