TDR Targets

Basic information

Technical information

TDR Targets ID: 580494
Name: 1-[3-(diethylamino)propyl]spiro[pyrrolidine-3 ,1'-tetralin]-2,5-dione hydrochloride
MW: 364.909 | Formula: C20H29ClN2O2
H donors: 0 H acceptors: 2 LogP: 3.53 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCCN1C(=O)CC2(C1=O)CCCc1c2cccc1)CC.Cl
InChi: 1S/C20H28N2O2.ClH/c1-3-21(4-2)13-8-14-22-18(23)15-20(19(22)24)12-7-10-16-9-5-6-11-17(16)20;/h5-6,9,11H,3-4,7-8,10,12-15H2,1-2H3;1H
InChiKey: COLKCXOARNKEIW-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

1'-[3-(diethylamino)propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione hydrochloride
1-[3-(diethylamino)propyl]spiro[pyrrolidine-3,1'-tetralin]-2,5-quinone hydrochloride
1'-(3-diethylaminopropyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione hydrochloride
1-(3-diethylaminopropyl)spiro[pyrrolidine-3,1'-tetralin]-2,5-dione hydrochloride
1-(3-diethylaminopropyl)spiro[pyrrolidine-3,1'-tetralin]-2,5-quinone hydrochloride
74246-80-3
Spiro(naphthalene-1(2H),3'-pyrrolidine)-2',5'-dione, 3,4-dihydro-1'-(3-(diethylamino)propyl)-, hydrochloride, (+-)-
RAC-109I

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
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0375	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.013	0.0206
Loa Loa (eye worm)	hypothetical protein	0.008	0.2422	0.2422
Echinococcus granulosus	muscleblind protein	0.029	1	1
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.008	0.2422	0.2422
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.008	0.2422	0.2422
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0188	0.6329	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0375	0.0375
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0375	0.0593
Schistosoma mansoni	apoptosis regulator bax	0.008	0.2422	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0375	1
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0188	0.6329	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0375	0.0593
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.008	0.2422	0.2422
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0375	0.0593
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.008	0.2422	0.2422
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0164	0.026
Loa Loa (eye worm)	apoptosis regulator protein	0.008	0.2422	0.2422
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.008	0.2422	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0164
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0188	0.6329	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0375	0.0375
Trypanosoma brucei	oxidoreductase-like protein	0.0013	0	0.5
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0164	0.026
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0375	0.0593
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.008	0.2422	0.2422
Loa Loa (eye worm)	hypothetical protein	0.029	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.013	0.0206
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0188	0.6329	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0164	0.026
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0013	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0164
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0375	0.0375
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0013	0	0.5
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0188	0.6329	1
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0013	0	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0375	0.0593
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0375	0.0593
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0188	0.6329	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0375	0.0375
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0375	0.0593
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.013	0.0206
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0164	0.026
Loa Loa (eye worm)	hypothetical protein	0.029	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0164
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0375	0.0593
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0375	0.0593
Echinococcus multilocularis	muscleblind protein	0.029	1	1
Trichomonas vaginalis	hypothetical protein	0.0188	0.6329	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0375	0.0593
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0375	0.0593
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0164	0.026
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0375	1
Schistosoma mansoni	hypothetical protein	0.008	0.2422	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0375	0.0375
Echinococcus multilocularis	muscleblind protein 1	0.029	1	1
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0013	0	0.5
Schistosoma mansoni	hypothetical protein	0.008	0.2422	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0375	0.0593
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0375	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0164
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0188	0.6329	1
Schistosoma mansoni	hypothetical protein	0.008	0.2422	1
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0188	0.6329	1
Onchocerca volvulus		0.0023	0.0375	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0164
Trypanosoma brucei	pteridine reductase 1	0.0013	0	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.013	0.0206

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

Search by CAS
PubChem: 3057853

Bibliographic References

No literature references available for this target.

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Detailed information for compound 580494