TDR Targets

Basic information

Technical information

TDR Targets ID: 1424614
Name: Oprea1_336732
MW: 289.33 | Formula: C15H19N3O3
H donors: 1 H acceptors: 3 LogP: 2.24 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN1C2CCC1CC(C2)NC(=O)c1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C15H19N3O3/c1-17-13-6-7-14(17)9-11(8-13)16-15(19)10-2-4-12(5-3-10)18(20)21/h2-5,11,13-14H,6-9H2,1H3,(H,16,19)
InChiKey: GIIYNQKTYHZSAK-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

RH 01475

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	Rad52/22 family double-strand break repair protein, putative	0.0195	0.042	0.0219
Schistosoma mansoni	hypothetical protein	0.0184	0.0378	0.0961
Toxoplasma gondii	hypothetical protein	0.0112	0.0107	0.0392
Schistosoma mansoni	Smad4	0.0187	0.0389	0.0987
Brugia malayi	latrophilin 2 splice variant baaae	0.0752	0.2515	0.2515
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0133	0.0188	1
Brugia malayi	hypothetical protein	0.0103	0.0074	0.0074
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0133	0.0188	0.0188
Schistosoma mansoni	hypothetical protein	0.0348	0.0995	0.2527
Echinococcus multilocularis	GPCR, family 2	0.0348	0.0995	0.2527
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0133	0.0188	0.136
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.11	0.3824	0.3824
Brugia malayi	Probable ClpP-like protease	0.0325	0.0908	0.0908
Schistosoma mansoni	hypothetical protein	0.0348	0.0995	0.2527
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0213	0.0487	0.1237
Brugia malayi	MH1 domain containing protein	0.0103	0.0075	0.0075
Loa Loa (eye worm)	transcription factor SMAD2	0.274	1	1
Schistosoma mansoni	smad	0.0187	0.0389	0.0987
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0133	0.0188	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0133	0.0188	1
Brugia malayi	isocitrate dehydrogenase	0.0133	0.0188	0.0188
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0348	0.0995	0.2527
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0325	0.0908	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0133	0.0188	0.136
Loa Loa (eye worm)	hypothetical protein	0.0348	0.0995	0.0995
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0187	0.0389	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0075	0.0075
Brugia malayi	RNA recognition motif domain containing protein	0.113	0.3938	0.3938
Echinococcus granulosus	tar DNA binding protein	0.113	0.3938	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0325	0.0908	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0348	0.0995	0.0995
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0184	0.0378	0.0961
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0112	0.0107	0.0392
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0133	0.0188	0.0477
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0133	0.0188	0.0477
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0325	0.0908	0.5
Brugia malayi	MH2 domain containing protein	0.0187	0.0389	0.0389
Schistosoma mansoni	hypothetical protein	0.0348	0.0995	0.2527
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0133	0.0188	0.0477
Brugia malayi	MH2 domain containing protein	0.0187	0.0389	0.0389
Schistosoma mansoni	smad1 5 8 and	0.0187	0.0389	0.0987
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0187	0.0389	0.0987
Loa Loa (eye worm)	MH1 domain-containing protein	0.0187	0.0389	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0325	0.0908	0.0908
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0184	0.0378	0.0961
Schistosoma mansoni	smad1 5 8 and	0.0187	0.0389	0.0987
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0213	0.0487	1
Brugia malayi	MH1 domain containing protein	0.0187	0.0389	0.0389
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0112	0.0107	0.0392
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0325	0.0908	0.5
Loa Loa (eye worm)	hypothetical protein	0.0154	0.0264	0.0264
Brugia malayi	Isocitrate dehydrogenase	0.0133	0.0188	0.0188
Loa Loa (eye worm)	TAR-binding protein	0.113	0.3938	0.3938
Echinococcus granulosus	GPCR family 2	0.0348	0.0995	0.2527
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0348	0.0995	0.2527
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0325	0.0908	0.5
Brugia malayi	MH1 domain containing protein	0.0103	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0074	0.0074
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0213	0.0487	0.4744
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0325	0.0908	1
Entamoeba histolytica	hypothetical protein	0.0195	0.042	0.0219
Echinococcus granulosus	mothers against decapentaplegic 5	0.0187	0.0389	0.0987
Echinococcus granulosus	smad	0.0187	0.0389	0.0987
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0381	0.1119	0.2842
Echinococcus granulosus	Smad4	0.0187	0.0389	0.0987
Giardia lamblia	DNA repair protein RAD52	0.0685	0.2265	0.5
Loa Loa (eye worm)	hypothetical protein	0.11	0.3824	0.3824
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0348	0.0995	0.0995
Loa Loa (eye worm)	RNA binding protein	0.113	0.3938	0.3938
Schistosoma mansoni	tar DNA-binding protein	0.113	0.3938	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0348	0.0995	0.2527
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0325	0.0908	0.5
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0133	0.0188	0.0477
Loa Loa (eye worm)	Smad1	0.0187	0.0389	0.0389
Loa Loa (eye worm)	MH2 domain-containing protein	0.0187	0.0389	0.0389
Brugia malayi	Smad1	0.0187	0.0389	0.0389
Brugia malayi	RNA binding protein	0.113	0.3938	0.3938
Schistosoma mansoni	tar DNA-binding protein	0.113	0.3938	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0348	0.0995	0.2527
Echinococcus granulosus	peptidase Clp S14 family	0.0213	0.0487	0.1237
Echinococcus multilocularis	Smad4	0.0187	0.0389	0.0987
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0133	0.0188	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0133	0.0188	0.0477
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0325	0.0908	1
Echinococcus multilocularis	tar DNA binding protein	0.113	0.3938	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.11	0.3824	0.3824
Loa Loa (eye worm)	hypothetical protein	0.0752	0.2515	0.2515
Loa Loa (eye worm)	nuclear factor I	0.0103	0.0075	0.0075
Schistosoma mansoni	smad1 5 8 and	0.0187	0.0389	0.0987
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0325	0.0908	0.2306
Toxoplasma gondii	isocitrate dehydrogenase	0.0133	0.0188	0.136
Echinococcus multilocularis	smad	0.0187	0.0389	0.0987
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0325	0.0908	0.2306
Schistosoma mansoni	transcription factor LCR-F1	0.0184	0.0378	0.0961
Schistosoma mansoni	tar DNA-binding protein	0.113	0.3938	1
Brugia malayi	hypothetical protein	0.0184	0.0378	0.0378
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0325	0.0908	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0325	0.0908	0.2306
Schistosoma mansoni	tar DNA-binding protein	0.113	0.3938	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.274	1	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0213	0.0487	1
Schistosoma mansoni	hypothetical protein	0.0752	0.2515	0.6386
Toxoplasma gondii	isocitrate dehydrogenase	0.0133	0.0188	0.136
Schistosoma mansoni	tar DNA-binding protein	0.113	0.3938	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0187	0.0389	0.0987
Schistosoma mansoni	hypothetical protein	0.0348	0.0995	0.2527
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.113	0.3938	0.3938
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0685	0.2265	1
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0381	0.1119	0.2842
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0325	0.0908	1
Onchocerca volvulus		0.0154	0.0264	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0187	0.0389	0.0987
Brugia malayi	Latrophilin receptor protein 2	0.0348	0.0995	0.0995
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.11	0.3824	0.3824
Brugia malayi	TAR-binding protein	0.113	0.3938	0.3938
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0133	0.0188	0.0477
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0133	0.0188	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0325	0.0908	0.5
Brugia malayi	MH1 domain containing protein	0.0187	0.0389	0.0389
Brugia malayi	hypothetical protein	0.0154	0.0264	0.0264
Echinococcus multilocularis	isocitrate dehydrogenase	0.0133	0.0188	0.0477

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.9362 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	25.1189 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1557264

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1424614