TDR Targets

Basic information

Technical information

TDR Targets ID: 1706042
Name: 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-naph thalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl ]piperazine
MW: 514.663 | Formula: C33H34N6
H donors: 0 H acceptors: 3 LogP: 6.72 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Cc1cccc(c1n1nnnc1C(c1cccc2c1cccc2)N1CCN(CC1)C/C=C/c1ccccc1)C
InChi: 1S/C33H34N6/c1-25-11-8-12-26(2)31(25)39-33(34-35-36-39)32(30-19-9-17-28-16-6-7-18-29(28)30)38-23-21-37(22-24-38)20-10-15-27-13-4-3-5-14-27/h3-19,32H,20-24H2,1-2H3/b15-10+
InChiKey: KGOUUVJDLIRPDX-XNTDXEJSSA-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-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(1-naphthyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
1-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]-(1-naphthyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
1-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]-naphthalen-1-yl-methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 4	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0543	0.603
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2498	0.2498
Echinococcus multilocularis	ornithine aminotransferase	0.0025	0.0805	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0542	0.3402
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0011	0.0146	0.182
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0025	0.0805	0.5052
Echinococcus granulosus	GPCR family 2	0.0019	0.0542	0.6734
Loa Loa (eye worm)	hypothetical protein	0.006	0.2498	0.2498
Schistosoma mansoni	hypothetical protein	0.0019	0.0542	0.3402
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2498	0.2498
Entamoeba histolytica	hypothetical protein	0.0008	0	0.5
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0019	0.0543	0.5
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0025	0.0805	0.0357
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0146	0.182
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0025	0.0805	0.5
Schistosoma mansoni	z-protein (S1r protein)	0.0011	0.0146	0.0919
Schistosoma mansoni	dep domain containing protein	0.0011	0.0146	0.0919
Loa Loa (eye worm)	DIX domain-containing protein	0.0011	0.0146	0.0146
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0025	0.0805	0.0357
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0542	0.6734
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0146	0.182
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0025	0.0805	0.0357
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0025	0.0805	0.0805
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0011	0.0146	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Echinococcus multilocularis	Aminotransferase class III	0.0025	0.0805	1
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0543	0.0543
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0543	0.0543
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0543	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0542	0.3402
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0542	0.6734
Echinococcus granulosus	Aminotransferase class III	0.0025	0.0805	1
Brugia malayi	hypothetical protein	0.0011	0.0146	0.0146
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0146	0.182
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0146	0.182
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0543	1
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0011	0.0146	0.0919
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0543	0.6753
Plasmodium vivax	ornithine aminotransferase, putative	0.0025	0.0805	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0146	0.0146
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0542	0.6734
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0542	0.0542
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0173	0.7854	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1593	0.1593
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0542	0.6734
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0146	0.0146
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0146	0.0146
Schistosoma mansoni	hypothetical protein	0.0019	0.0542	0.3402
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0146	0.182
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0025	0.0805	0.5
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0173	0.7854	1
Mycobacterium tuberculosis	Probable aminotransferase	0.0173	0.7854	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0146	0.0146
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0173	0.7854	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0542	0.0542
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0543	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0542	0.6734
Brugia malayi	DIX domain containing protein	0.0011	0.0146	0.0146
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0011	0.0146	0.182
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0543	0.3412
Schistosoma mansoni	dishevelled	0.0011	0.0146	0.0919
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0146	0.182
Onchocerca volvulus		0.0011	0.0146	0.0146
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	1	1
Brugia malayi	regulator of G-protein signaling egl-10	0.0011	0.0146	0.0146
Brugia malayi	hypothetical protein	0.0011	0.0146	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Echinococcus granulosus	ornithine aminotransferase	0.0025	0.0805	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0543	0.6753
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0019	0.0543	1
Plasmodium falciparum	ornithine aminotransferase	0.0025	0.0805	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0543	0.6753
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0542	0.0542
Mycobacterium ulcerans	hypothetical protein	0.0173	0.7854	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1593	0.1593
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0173	0.7854	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0025	0.0805	0.0357
Echinococcus multilocularis	ornithine aminotransferase	0.0025	0.0805	1
Schistosoma mansoni	dishevelled	0.0011	0.0146	0.0919
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0543	0.603
Schistosoma mansoni	hypothetical protein	0.0041	0.1593	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0146	0.0146
Schistosoma mansoni	regulator of G protein signaling	0.0011	0.0146	0.0919
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0146	0.182
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2498	0.2498
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0146	0.182
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0011	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0542	0.0542
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0025	0.0805	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0543	0.6753
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0543	0.6753
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0543	0.0543
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0543	0.6753

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.8184 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.9953 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2143424

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 1706042