TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 328.449 | Formula: C20H28N2O2
H donors: 1 H acceptors: 1 LogP: 2.67 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OCCC1CN(CCN1Cc1ccc(cc1)C)Cc1ccc(o1)C
InChi: 1S/C20H28N2O2/c1-16-3-6-18(7-4-16)13-22-11-10-21(14-19(22)9-12-23)15-20-8-5-17(2)24-20/h3-8,19,23H,9-15H2,1-2H3
InChiKey: PQIHEQCZLCNILZ-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
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0102	0.0142
Mycobacterium ulcerans	glutaminase	0.0277	0.374	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.005	0.0091
Onchocerca volvulus		0.01	0.1122	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0096	0.1053	0.4267
Brugia malayi	hypothetical protein	0.0032	0.0102	0.0186
Loa Loa (eye worm)	TAR-binding protein	0.0394	0.5489	1
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0102	0.0142
Echinococcus granulosus	nibrin	0.0032	0.0102	0.0053
Echinococcus multilocularis	microtubule associated protein 2	0.0698	1	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0071	0.0694	0.6421
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0068	0.0636	0.5844
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0032	0.0102	0.0142
Mycobacterium ulcerans	acyl-CoA synthetase	0.0096	0.1053	0.2717
Plasmodium vivax	replication factor C subunit 1, putative	0.0032	0.0102	0.0813
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0102	1
Echinococcus multilocularis	tar DNA binding protein	0.0394	0.5489	0.5466
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.1129	0.1984
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0096	0.1053	0.2717
Schistosoma mansoni	hypothetical protein	0.0032	0.0106	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0102	0.0096
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0096	0.1053	1
Brugia malayi	hypothetical protein	0.0032	0.0102	0.0186
Mycobacterium ulcerans	hypothetical protein	0.0096	0.1053	0.2717
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0096	0.1053	1
Echinococcus granulosus	replication factor c subunit 1	0.0032	0.0102	0.0053
Echinococcus granulosus	tar DNA binding protein	0.0394	0.5489	0.5466
Brugia malayi	glutaminase DH11.1	0.0277	0.374	0.6814
Echinococcus granulosus	GPCR family 2	0.0032	0.0106	0.0057
Echinococcus granulosus	tumor protein p63	0.0685	0.9807	0.9806
Loa Loa (eye worm)	glutaminase	0.0277	0.374	0.6785
Entamoeba histolytica	hypothetical protein	0.0186	0.24	1
Onchocerca volvulus		0.0032	0.0102	0.0488
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0106	0.0057
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0032	0.0102	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0096	0.1053	0.4267
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1053	0.1844
Brugia malayi	Bromodomain containing protein	0.0038	0.0197	0.0359
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0096	0.1053	0.2717
Schistosoma mansoni	tar DNA-binding protein	0.0394	0.5489	0.5466
Schistosoma mansoni	bromodomain containing protein	0.0063	0.0565	0.0518
Trypanosoma cruzi	FHA domain containing protein, putative	0.0032	0.0102	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0694	0.1184
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0032	0.0102	1
Trichomonas vaginalis	glutaminase, putative	0.0277	0.374	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.0512	0.0465
Schistosoma mansoni	transcription factor LCR-F1	0.0186	0.24	0.2362
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0102	0.0142
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0032	0.0102	0.0142
Schistosoma mansoni	tar DNA-binding protein	0.0394	0.5489	0.5466
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0694	0.1184
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0394	0.5489	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.005	0.0091
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0071	0.0694	1
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0032	0.0102	0.0223
Schistosoma mansoni	hypothetical protein	0.0186	0.24	0.2362
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0028	0.005	0.0091
Echinococcus multilocularis	nibrin	0.0032	0.0102	0.0053
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0068	0.0636	0.5844
Brugia malayi	TAR-binding protein	0.0394	0.5489	1
Brugia malayi	AMP-binding enzyme family protein	0.0096	0.1053	0.1918
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0106	0.0057
Loa Loa (eye worm)	glutaminase 2	0.0277	0.374	0.6785
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1053	0.1844
Leishmania major	4-coumarate:coa ligase-like protein	0.0096	0.1053	1
Brugia malayi	Bromodomain containing protein	0.0074	0.0738	0.1344
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0694	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0102	0.0096
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.005	0.0091
Entamoeba histolytica	hypothetical protein	0.0032	0.0102	0.0223
Brugia malayi	hypothetical protein	0.0186	0.24	0.4373
Schistosoma mansoni	tar DNA-binding protein	0.0394	0.5489	0.5466
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0096	0.1053	1
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0102	0.0142
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0102	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1053	0.1844
Schistosoma mansoni	hypothetical protein	0.0032	0.0106	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0102	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0198	0.0272
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0106	0.0057
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0096	0.1053	0.4267
Schistosoma mansoni	tar DNA-binding protein	0.0394	0.5489	0.5466
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0096	0.1053	0.2717
Schistosoma mansoni	cellular tumor antigen P53	0.01	0.1122	0.1078
Echinococcus multilocularis	tumor protein p63	0.0685	0.9807	0.9806
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0071	0.0694	0.1745
Entamoeba histolytica	hypothetical protein	0.0186	0.24	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0096	0.1053	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0068	0.0636	0.5844
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0032	0.0102	0.5
Loa Loa (eye worm)	hypothetical protein	0.007	0.0675	0.1148
Schistosoma mansoni	topbp1	0.0032	0.0102	0.0053
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0106	0.0057
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0096	0.1053	1
Toxoplasma gondii	ATPase, AAA family protein	0.0032	0.0102	1
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0032	0.0102	0.0142
Leishmania major	4-coumarate:coa ligase-like protein	0.0096	0.1053	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0656	0.1114
Plasmodium falciparum	acyl-CoA synthetase	0.0071	0.0694	1
Schistosoma mansoni	tar DNA-binding protein	0.0394	0.5489	0.5466
Schistosoma mansoni	hypothetical protein	0.0069	0.0656	0.0609
Schistosoma mansoni	topbp1	0.0032	0.0102	0.0053
Onchocerca volvulus		0.0096	0.1053	0.9351
Plasmodium vivax	acyl-CoA synthetase, putative	0.0071	0.0694	1
Entamoeba histolytica	hypothetical protein	0.0186	0.24	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.1129	0.2057
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0102	0.0096
Brugia malayi	DKFZp564C0469 protein	0.0032	0.0102	0.0186
Schistosoma mansoni	hypothetical protein	0.0032	0.0106	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0102	0.0096
Schistosoma mansoni	chromosome transmission fidelity factor	0.0032	0.0102	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0102	0.0096
Mycobacterium ulcerans	acyl-CoA synthetase	0.0096	0.1053	0.2717
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0694	0.1184
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0028	0.005	0.0091
Brugia malayi	RNA recognition motif domain containing protein	0.0394	0.5489	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0106	0.0057
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0106	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1129	0.1984
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0106	0.0104
Echinococcus multilocularis	replication factor c subunit 1	0.0032	0.0102	0.0053
Schistosoma mansoni	glutaminase	0.0277	0.374	0.3708
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0032	0.0102	0.0142
Brugia malayi	AMP-binding enzyme family protein	0.0096	0.1053	0.1918
Treponema pallidum	DNA ligase (lig)	0.0032	0.0102	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0096	0.1053	0.1918
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0106	0.0194
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0162	0.0113
Mycobacterium ulcerans	acyl-CoA synthetase	0.0096	0.1053	0.2717
Giardia lamblia	Replication factor C, subunit 1	0.0032	0.0102	0.5
Trichomonas vaginalis	replication factor C large subunit, putative	0.0032	0.0102	0.0142
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0032	0.0102	0.0186
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.0512	0.0465
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0186	0.24	0.2362
Brugia malayi	Pax transcription activation domain interacting protein	0.0032	0.0102	0.0186
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0068	0.0636	0.5844
Loa Loa (eye worm)	RNA binding protein	0.0394	0.5489	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0162	0.0113
Entamoeba histolytica	hypothetical protein	0.0186	0.24	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0656	0.1195
Loa Loa (eye worm)	hypothetical protein	0.01	0.1122	0.1972
Schistosoma mansoni	microtubule-associated protein tau	0.0698	1	1
Brugia malayi	RNA binding protein	0.0394	0.5489	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0694	0.1184
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0186	0.24	0.2362
Schistosoma mansoni	DNA ligase IV	0.0032	0.0102	0.0053
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.1129	0.2057
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0032	0.0102	1
Brugia malayi	topoisomerase	0.0032	0.0102	0.0186
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0032	0.0102	0.0142
Schistosoma mansoni	hypothetical protein	0.0032	0.0106	0.0057
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0102	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0233	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0261	0.0388
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0096	0.1053	0.2717
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0032	0.0102	0.0522
Plasmodium falciparum	replication factor C subunit 1, putative	0.0032	0.0102	0.0813
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0106	0.0104
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.005	0.0091

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 770189