TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 324.417 | Formula: C20H24N2O2
H donors: 0 H acceptors: 1 LogP: 2.81 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)OC1COC2(C1)CCN(CC2)Cc1ccccn1
InChi: 1S/C20H24N2O2/c1-2-7-18(8-3-1)24-19-14-20(23-16-19)9-12-22(13-10-20)15-17-6-4-5-11-21-17/h1-8,11,19H,9-10,12-16H2
InChiKey: CPIPEMMBHWFQAW-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
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.0343	0.2288	0.2288
Echinococcus granulosus	peregrin	0.0058	0.0103	0.0103
Echinococcus multilocularis	peregrin	0.0058	0.0103	0.0103
Trypanosoma cruzi	PAB1-binding protein , putative	0.0305	0.1997	1
Echinococcus granulosus	tar DNA binding protein	0.019	0.1117	0.1117
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0106	0.0476	0.0476
Schistosoma mansoni	jumonji domain containing protein	0.0151	0.0816	0.0816
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0126	0.0626	0.0626
Brugia malayi	Disintegrin family protein	0.0063	0.0143	0.0161
Echinococcus multilocularis	disintegrin and metalloproteinase	0.0063	0.0143	0.0143
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0126	0.0626	0.0626
Echinococcus multilocularis	lysine specific demethylase 5A	0.007	0.0197	0.0197
Treponema pallidum	hypothetical protein	0.057	0.4034	0.5
Echinococcus granulosus	mothers against decapentaplegic 5	0.0082	0.0286	0.0286
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0299	0.1952	0.1952
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0126	0.0626	0.1331
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0082	0.0286	0.0286
Loa Loa (eye worm)	TAR-binding protein	0.019	0.1117	0.1132
Schistosoma mansoni	smad1 5 8 and	0.0082	0.0286	0.0286
Brugia malayi	MH1 domain containing protein	0.0082	0.0286	0.0322
Trypanosoma cruzi	PAB1-binding protein , putative	0.0305	0.1997	1
Loa Loa (eye worm)	hypothetical protein	0.0343	0.2288	0.232
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0063	0.0143	0.0143
Toxoplasma gondii	isocitrate dehydrogenase	0.0126	0.0626	0.2763
Brugia malayi	metalloprotease disintegrin 16 with thrombospondin type I motif	0.0299	0.1952	0.2201
Schistosoma mansoni	dihydroceramide desaturase	0.0063	0.0143	0.0143
Loa Loa (eye worm)	PHD-finger family protein	0.0058	0.0103	0.0105
Entamoeba histolytica	hypothetical protein	0.0106	0.0476	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0501	0.3506	0.3952
Echinococcus multilocularis	jumonji domain containing protein	0.0081	0.0278	0.0278
Schistosoma mansoni	hypothetical protein	0.1347	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.12	0.8871	0.8992
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.0197	0.02
Echinococcus multilocularis	geminin	0.1347	1	1
Brugia malayi	jmjC domain containing protein	0.007	0.0197	0.0222
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0137	0.0707	0.0707
Schistosoma mansoni	hypothetical protein	0.0159	0.0876	0.0876
Schistosoma mansoni	hypothetical protein	0.1347	1	1
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.0397	0.2706	0.2706
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.057	0.4034	1
Echinococcus granulosus	Smad4	0.0082	0.0286	0.0286
Brugia malayi	MH1 domain containing protein	0.0045	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0421	0.0427
Plasmodium falciparum	ataxin-2 like protein, putative	0.0305	0.1997	0.4816
Brugia malayi	RNA recognition motif domain containing protein	0.019	0.1117	0.1259
Loa Loa (eye worm)	nuclear factor I	0.0045	0.0006	0.0006
Loa Loa (eye worm)	Smad1	0.0082	0.0286	0.029
Echinococcus multilocularis	Smad4	0.0082	0.0286	0.0286
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.057	0.4034	1
Brugia malayi	isocitrate dehydrogenase	0.0126	0.0626	0.0706
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0305	0.2002	0.2029
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1117	0.1117
Echinococcus granulosus	GPCR family 2	0.0159	0.0876	0.0876
Schistosoma mansoni	transcription factor LCR-F1	0.0106	0.0476	0.0476
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0159	0.0876	0.0876
Plasmodium falciparum	ataxin-2 like protein, putative	0.0305	0.1997	0.4816
Echinococcus granulosus	PHD finger protein rhinoceros	0.0058	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0103	0.0105
Brugia malayi	Isocitrate dehydrogenase	0.0126	0.0626	0.0706
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.057	0.4034	0.5
Echinococcus multilocularis	tar DNA binding protein	0.019	0.1117	0.1117
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0082	0.0286	0.0286
Leishmania major	hypothetical protein, conserved	0.0305	0.1997	1
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1117	0.1117
Trypanosoma brucei	PAB1-binding protein , putative	0.0305	0.1997	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0126	0.0626	0.0635
Brugia malayi	hypothetical protein	0.011	0.0503	0.0567
Schistosoma mansoni	hypothetical protein	0.0159	0.0876	0.0876
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0082	0.0286	0.0286
Brugia malayi	N-terminal motif family protein	0.0178	0.1022	0.1152
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0126	0.0626	0.0626
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0299	0.1952	0.1952
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0159	0.0876	0.0876
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0126	0.0626	0.1331
Brugia malayi	Bromodomain containing protein	0.0058	0.0103	0.0117
Schistosoma mansoni	hypothetical protein	0.0159	0.0876	0.0876
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.011	0.0503	0.0503
Echinococcus granulosus	snurportin 1	0.0305	0.2002	0.2002
Loa Loa (eye worm)	MH2 domain-containing protein	0.0082	0.0286	0.029
Brugia malayi	MH2 domain containing protein	0.0082	0.0286	0.0322
Brugia malayi	hypothetical protein	0.0305	0.1997	0.2251
Brugia malayi	latrophilin 2 splice variant baaae	0.0343	0.2288	0.258
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0159	0.0876	0.0888
Brugia malayi	MH1 domain containing protein	0.0082	0.0286	0.0322
Brugia malayi	TAR-binding protein	0.019	0.1117	0.1259
Entamoeba histolytica	hypothetical protein	0.0106	0.0476	0.5
Schistosoma mansoni	hypothetical protein	0.0159	0.0876	0.0876
Loa Loa (eye worm)	transcription factor SMAD2	0.12	0.8871	0.8992
Loa Loa (eye worm)	reprolysin	0.0063	0.0143	0.0145
Plasmodium vivax	ataxin-2 like protein, putative	0.0305	0.1997	0.4816
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0126	0.0626	0.0626
Brugia malayi	hypothetical protein	0.0197	0.1168	0.1317
Echinococcus multilocularis	GPCR, family 2	0.0159	0.0876	0.0876
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0159	0.0876	0.0987
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0058	0.0103	0.0103
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1117	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1022	0.1036
Entamoeba histolytica	hypothetical protein	0.0106	0.0476	0.5
Brugia malayi	hypothetical protein	0.0106	0.0476	0.0536
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0159	0.0876	0.0876
Schistosoma mansoni	jumonji/arid domain-containing protein	0.007	0.0197	0.0197
Echinococcus granulosus	jumonji domain containing protein	0.0081	0.0278	0.0278
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0299	0.1952	0.1952
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.057	0.4034	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.019	0.1117	0.1132
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0058	0.0103	0.0103
Echinococcus granulosus	adam	0.011	0.0503	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0019	0.0019
Loa Loa (eye worm)	pax transcription factor protein 2	0.0952	0.6962	0.7058
Schistosoma mansoni	smad1 5 8 and	0.0082	0.0286	0.0286
Brugia malayi	Pax transcription factor protein 2	0.0952	0.6962	0.7848
Loa Loa (eye worm)	jmjC domain-containing protein	0.012	0.0577	0.0585
Loa Loa (eye worm)	hypothetical protein	0.133	0.9865	1
Schistosoma mansoni	hypothetical protein	0.0058	0.0103	0.0103
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0063	0.0143	0.0143
Loa Loa (eye worm)	RNA binding protein	0.019	0.1117	0.1132
Schistosoma mansoni	smad1 5 8 and	0.0082	0.0286	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0006	0.0006
Brugia malayi	MH2 domain containing protein	0.12	0.8871	1
Schistosoma mansoni	smad	0.0082	0.0286	0.0286
Toxoplasma gondii	LsmAD domain-containing protein	0.0305	0.1997	1
Loa Loa (eye worm)	hypothetical protein	0.0501	0.3506	0.3554
Schistosoma mansoni	jumonji/arid domain-containing protein	0.007	0.0197	0.0197
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.019	0.1116	0.1116
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1117	0.1117
Brugia malayi	angiogenesis inhibito	0.0047	0.0019	0.0021
Echinococcus multilocularis	isocitrate dehydrogenase	0.0126	0.0626	0.0626
Brugia malayi	jmjC domain containing protein	0.019	0.1116	0.1258
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0126	0.0626	0.0626
Schistosoma mansoni	hypothetical protein	0.0137	0.0707	0.0707
Echinococcus multilocularis	adam	0.011	0.0503	0.0503
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0178	0.1022	0.1339
Loa Loa (eye worm)	hypothetical protein	0.0305	0.1997	0.2024
Schistosoma mansoni	hypothetical protein	0.0305	0.2002	0.2002
Echinococcus granulosus	disintegrin and metalloproteinase	0.0063	0.0143	0.0143
Onchocerca volvulus		0.0952	0.6962	1
Echinococcus granulosus	lysine specific demethylase 5A	0.007	0.0197	0.0197
Echinococcus multilocularis	smad	0.0082	0.0286	0.0286
Brugia malayi	RNA binding protein	0.019	0.1117	0.1259
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.057	0.4034	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0143	0.0145
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0501	0.3506	0.3554
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0063	0.0143	0.0143
Brugia malayi	MH2 domain containing protein	0.0082	0.0286	0.0322
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.0397	0.2706	0.2706
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0082	0.0286	0.0286
Echinococcus granulosus	adam 17 protease	0.0696	0.5	0.5
Toxoplasma gondii	isocitrate dehydrogenase	0.0126	0.0626	0.2763
Schistosoma mansoni	hypothetical protein	0.0106	0.0476	0.0476
Schistosoma mansoni	tar DNA-binding protein	0.019	0.1117	0.1117
Brugia malayi	PHD-finger family protein	0.0058	0.0103	0.0117
Echinococcus multilocularis	snurportin 1	0.0305	0.2002	0.2002
Schistosoma mansoni	ADAM17 peptidase (M12 family)	0.0633	0.4516	0.4516
Schistosoma mansoni	Smad4	0.0082	0.0286	0.0286
Entamoeba histolytica	hypothetical protein	0.0106	0.0476	0.5
Brugia malayi	RNA, U transporter 1	0.0081	0.0283	0.0319
Loa Loa (eye worm)	MH1 domain-containing protein	0.0082	0.0286	0.029
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0876	0.0888
Brugia malayi	Latrophilin receptor protein 2	0.0159	0.0876	0.0987
Brugia malayi	Smad1	0.0082	0.0286	0.0322
Brugia malayi	MH1 domain containing protein	0.0045	0.0006	0.0006
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0106	0.0476	0.0476
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0159	0.0876	0.0876
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0126	0.0626	0.0626
Echinococcus multilocularis	adam 17 protease	0.0633	0.4516	0.4516
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0047	0.0019	0.0021
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0501	0.3506	0.3952
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0137	0.0707	0.0707
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.019	0.1116	0.1116
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0063	0.0143	0.0143
Brugia malayi	ADAMTS-like protease	0.0047	0.0019	0.0021
Giardia lamblia	PHD finger protein 15	0.0058	0.0103	0.5
Echinococcus granulosus	smad	0.0082	0.0286	0.0286

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

ChEMBL: CHEMBL3555536

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1938376