TDR Targets

Basic information

Technical information

TDR Targets ID: 288930
Name: 9-[2-(4-chlorophenyl)ethyl]-1-oxa-4,9-diazasp iro[5.5]undecan-3-one
MW: 308.803 | Formula: C16H21ClN2O2
H donors: 1 H acceptors: 1 LogP: 2.19 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NCC2(OC1)CCN(CC2)CCc1ccc(cc1)Cl
InChi: 1S/C16H21ClN2O2/c17-14-3-1-13(2-4-14)5-8-19-9-6-16(7-10-19)12-18-15(20)11-21-16/h1-4H,5-12H2,(H,18,20)
InChiKey: KQBGWZAITOOOLG-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
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0034	0.0006	0.0063
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0167	0.0036	0.0837
Brugia malayi	jmjC domain containing protein	0.0009	0	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0001	0.0035
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0034	0.0006	0.0063
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0029	0.0005	0.012
Echinococcus multilocularis	transcription factor Dp 1	0.0022	0.0003	0.0033
Onchocerca volvulus		0.1845	0.0418	1
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.3946	0.0896	1
Echinococcus granulosus	transcription factor Dp 1	0.0022	0.0003	0.0033
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0081	0.0017	0.0015
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0006	0.0134
Schistosoma mansoni	apoptosis regulator bax	0.0703	0.0158	0.3782
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0014	0.0001	0.0001
Loa Loa (eye worm)	jmjC domain-containing protein	0.0009	0	0.0011
Giardia lamblia	Fructose-bisphosphate aldolase	0.0167	0.0036	0.0758
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0038	0.0007	0.0132
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0035	0.0006	0.0006
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0038	0.0007	0.0073
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0035	0.0006	0.015
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0009	0	0.0011
Loa Loa (eye worm)	hypothetical protein	0.1845	0.0418	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0081	0.0017	0.0016
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0001	0.0035
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0001	0.0001
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0703	0.0158	0.3782
Brugia malayi	MAP kinase sur-1	0.0029	0.0005	0.012
Schistosoma mansoni	microtubule-associated protein tau	0.0394	0.0088	0.2096
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0035	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0009	0	0.0011
Brugia malayi	jmjC domain containing protein	0.0009	0	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0	0.0011
Mycobacterium ulcerans	hypothetical protein	0.0014	0.0001	0.0001
Schistosoma mansoni	jumonji domain containing protein	0.0034	0.0006	0.0134
Leishmania major	4-coumarate:coa ligase-like protein	0.0014	0.0001	0.0035
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0006	0.0144
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0038	0.0007	0.0167
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0001	0.0035
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0703	0.0158	0.1764
Schistosoma mansoni	hypothetical protein	0.0703	0.0158	0.3782
Echinococcus granulosus	mitogen activated protein kinase	0.0029	0.0005	0.0051
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1845	0.0418	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0029	0.0005	0.0051
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0017
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0006	0.0134
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0029	0.0005	0.011
Mycobacterium ulcerans	undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe	0.1845	0.0418	0.0418
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0029	0.0005	0.012
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0038	0.0007	0.0167
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0014	0.0001	0.0001
Echinococcus multilocularis	mitogen activated protein kinase	0.0029	0.0005	0.0051
Toxoplasma gondii	glycosyl transferase, group 4 family protein	0.1845	0.0418	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0009	0	0.0011
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0167	0.0036	0.0758
Schistosoma mansoni	serine/threonine protein kinase	0.0029	0.0005	0.011
Leishmania major	4-coumarate:coa ligase-like protein	0.0014	0.0001	0.0035
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0014	0.0001	0.0001
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.1845	0.0418	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0009	0	0.0011
Plasmodium falciparum	acyl-CoA synthetase	0.001	0.0001	0.0006
Echinococcus multilocularis	microtubule associated protein 2	0.0394	0.0088	0.0977
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0014	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0017
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0038	0.0007	0.0167
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0029	0.0005	0.0051
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0703	0.0158	0.3788
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0006	0.0063
Giardia lamblia	UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase	0.1845	0.0418	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0029	0.0005	0.012
Brugia malayi	jmjC domain containing protein	0.0009	0	0.0011
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0167	0.0036	0.0758
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.0006	0.0063
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0009	0	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0703	0.0158	0.3788
Plasmodium falciparum	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1845	0.0418	1
Brugia malayi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.1845	0.0418	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0081	0.0017	0.0017
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.1845	0.0418	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0029	0.0005	0.012
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0017
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0014	0.0001	0.0001
Wolbachia endosymbiont of Brugia malayi	phospho-N-acetylmuramoyl-pentapeptide-transferase	4.3954	1	0.5
Plasmodium vivax	N-acetylglucosamine-1-phosphate transferase, putative	0.1845	0.0418	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0038	0.0007	0.0156
Chlamydia trachomatis	phospho-N-acetylmuramoyl-pentapeptide-transferase	1.6707	0.38	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0001	0.0035
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0009	0	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0001	0.0035
Trichomonas vaginalis	glucosaminephosphotransferase, putative	0.1845	0.0418	1
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1845	0.0418	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0167	0.0036	0.0758
Treponema pallidum	phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY)	1.6707	0.38	1
Echinococcus granulosus	microtubule associated protein 2	0.0394	0.0088	0.0977
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0029	0.0005	0.012
Schistosoma mansoni	aldehyde dehydrogenase	0.0035	0.0006	0.014
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0001	0.0001
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0038	0.0007	0.0073
Trypanosoma brucei	protein kinase, putative	0.0029	0.0005	0.012
Schistosoma mansoni	hypothetical protein	0.0703	0.0158	0.3782
Leishmania major	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1845	0.0418	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0029	0.0005	0.012
Schistosoma mansoni	hypothetical protein	0.0703	0.0158	0.3782
Mycobacterium tuberculosis	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	4.3954	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0167	0.0036	0.0758
Leishmania major	4-coumarate:coa ligase-like protein	0.0014	0.0001	0.0035
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0001	0.0035
Loa Loa (eye worm)	apoptosis regulator protein	0.0703	0.0158	0.3788
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0029	0.0005	0.012
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0167	0.0036	0.0758
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0029	0.0005	0.012
Brugia malayi	jmjC domain containing protein	0.0034	0.0006	0.0144
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0035	0.0006	0.0006
Brugia malayi	jmjC domain containing protein	0.0034	0.0006	0.0144
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.001	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0009	0	0.0011
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0017
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0703	0.0158	0.1764
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0017
Brugia malayi	jmjC domain containing protein	0.0009	0	0.0011
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.3946	0.0896	1
Leishmania major	hypothetical protein, conserved	0.0009	0	0.0011
Plasmodium vivax	acyl-CoA synthetase, putative	0.001	0.0001	0.0006
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0035	0.0006	0.0065
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0038	0.0007	0.0167
Schistosoma mansoni	aldehyde dehydrogenase	0.0035	0.0006	0.014
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0038	0.0007	0.0167
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0035	0.0006	0.0006
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0167	0.0036	0.0758
Toxoplasma gondii	aldehyde dehydrogenase	0.0035	0.0006	0.014
Trypanosoma brucei	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1845	0.0418	1
Echinococcus granulosus	UDP N acetylglucosamine dolichyl phosphate	0.1845	0.0418	0.4664
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0167	0.0036	0.0758
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0038	0.0007	0.0167
Mycobacterium ulcerans	phospho-N-acetylmuramoyl-pentapeptide-transferase	4.3954	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0035	0.0006	0.0065
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0167	0.0036	0.0758
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0167	0.0036	0.0837
Echinococcus multilocularis	UDP N acetylglucosamine dolichyl phosphate	0.1845	0.0418	0.4664
Entamoeba histolytica	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.1845	0.0418	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Decrease in SBP (functional)	NA 0 %	Percentage fall in systolic blood pressure after 1 hr at 12.5 mg/kg given perorally	ChEMBL.	6133954
Decrease in SBP (functional)	NA 0 %	Percentage fall in systolic blood pressure after 2 hr at 12.5 mg/kg given perorally	ChEMBL.	6133954
Decrease in SBP (functional)	NA 0 %	Percentage fall in systolic blood pressure after 3 hr at 12.5 mg/kg given perorally	ChEMBL.	6133954
Decrease in SBP (functional)	NA 0 %	Percentage fall in systolic blood pressure after 4 hr at 12.5 mg/kg given perorally	ChEMBL.	6133954

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: CHEMBL168257
PubChem: 13061735

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 288930