TDR Targets

Basic information

Technical information

TDR Targets ID: 1405968
Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6, 7-tetrahydroindazol-2-yl)acetamide
MW: 333.472 | Formula: C18H31N5O
H donors: 1 H acceptors: 2 LogP: 1.48 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCN(CC1)CCCNC(=O)Cn1cc2c(n1)CCCC2
InChi: 1S/C18H31N5O/c1-2-21-10-12-22(13-11-21)9-5-8-19-18(24)15-23-14-16-6-3-4-7-17(16)20-23/h14H,2-13,15H2,1H3,(H,19,24)
InChiKey: CBAHDYBUKAQOBI-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

N-[3-(4-ethyl-1-piperazinyl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanamide
MLS000119808
SMR000096729

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0084	0.0325	0.3383
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.021	0.1318	0.2507
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1028	0.1028
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0084	0.0325	0.3383
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0023	0.0023
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0262	0.0497
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.021	0.1318	0.2507
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0267	0.1773	0.1772
Brugia malayi	MH2 domain containing protein	0.0486	0.3505	0.3505
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0707	0.5257	1
Schistosoma mansoni	hypothetical protein	0.0577	0.4229	0.8044
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.023	0.1477	0.2809
Leishmania major	hypothetical protein, conserved	0.0165	0.0961	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0084	0.0325	0.0619
Schistosoma mansoni	hypothetical protein	0.0267	0.1773	0.3371
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0384	0.2699	0.5132
Entamoeba histolytica	hypothetical protein	0.0077	0.0263	0.5
Loa Loa (eye worm)	hypothetical protein	0.0267	0.1773	0.1772
Mycobacterium ulcerans	glutaminase	0.0282	0.1889	1
Brugia malayi	hypothetical protein	0.063	0.4647	0.4646
Brugia malayi	metalloprotease	0.0173	0.1028	0.1028
Loa Loa (eye worm)	glutaminase 2	0.0282	0.1889	0.1888
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0337	0.2328	0.4428
Toxoplasma gondii	isocitrate dehydrogenase	0.0084	0.0325	0.3383
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0084	0.0325	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0844	0.6345	0.6345
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0084	0.0325	0.1749
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0384	0.2699	0.5132
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0157	0.0902	0.1715
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0074	0.0241	0.0459
Loa Loa (eye worm)	reprolysin	0.021	0.1318	0.1317
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0384	0.2699	0.5133
Schistosoma mansoni	hypothetical protein	0.0267	0.1773	0.3371
Brugia malayi	hypothetical protein	0.0077	0.0263	0.0263
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0074	0.0241	0.0459
Onchocerca volvulus		0.0999	0.7571	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0084	0.0325	0.0619
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1858	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0165	0.0961	1
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0157	0.0902	0.1715
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0084	0.0325	0.0619
Loa Loa (eye worm)	pax transcription factor protein 2	0.0999	0.7571	0.7571
Entamoeba histolytica	hypothetical protein	0.0077	0.0263	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0267	0.1773	0.3372
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0053	0.0073	0.0391
Brugia malayi	Isocitrate dehydrogenase	0.0084	0.0325	0.0325
Loa Loa (eye worm)	transcription factor SMAD2	0.0486	0.3505	0.3505
Plasmodium vivax	ataxin-2 like protein, putative	0.0165	0.0961	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0384	0.2699	0.5133
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0707	0.5257	1
Loa Loa (eye worm)	hypothetical protein	0.0577	0.4229	0.4228
Entamoeba histolytica	hypothetical protein	0.0077	0.0263	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0267	0.1773	0.1772
Brugia malayi	hypothetical protein	0.0165	0.0961	0.096
Brugia malayi	Bromodomain containing protein	0.0046	0.0023	0.0022
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0353	0.2456	0.4671
Onchocerca volvulus		0.063	0.4647	0.6137
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0084	0.0325	0.0619
Brugia malayi	angiogenesis inhibito	0.0419	0.2978	0.2977
Echinococcus granulosus	adam 17 protease	0.0403	0.2847	0.5416
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0064	0.0064
Echinococcus granulosus	GPCR family 2	0.0267	0.1773	0.3372
Schistosoma mansoni	hypothetical protein	0.0074	0.0241	0.0458
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.043	0.3064	0.5828
Onchocerca volvulus		0.0061	0.0142	0.0186
Loa Loa (eye worm)	matrixin family protein	0.0096	0.0416	0.0415
Brugia malayi	hypothetical protein	0.0106	0.0498	0.0498
Brugia malayi	Pax transcription factor protein 2	0.0999	0.7571	0.7571
Brugia malayi	Latrophilin receptor protein 2	0.0267	0.1773	0.1772
Trypanosoma cruzi	PAB1-binding protein , putative	0.0165	0.0961	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0084	0.0325	0.0325
Mycobacterium leprae	PROBABLE HYDROLASE	0.0053	0.0073	1
Schistosoma mansoni	ADAMTS14 peptidase (M12 family)	0.0173	0.1028	0.1955
Brugia malayi	hypothetical protein	0.043	0.3064	0.3064
Loa Loa (eye worm)	hypothetical protein	0.022	0.1402	0.1402
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0384	0.2699	0.5133
Echinococcus multilocularis	adam	0.043	0.3064	0.5828
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.0263	0.0501
Loa Loa (eye worm)	hypothetical protein	0.021	0.1318	0.1317
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0384	0.2699	0.5133
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.021	0.1318	0.2506
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.021	0.1318	0.2506
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0844	0.6345	0.6345
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0769	0.5754	0.5754
Brugia malayi	glutaminase DH11.1	0.0282	0.1889	0.1888
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0353	0.2456	0.4671
Echinococcus multilocularis	GPCR, family 2	0.0267	0.1773	0.3372
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0384	0.2699	0.2698
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0707	0.5257	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0046	0.0045
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.0263	0.0501
Loa Loa (eye worm)	matrixin family protein	0.0105	0.0484	0.0484
Schistosoma mansoni	hypothetical protein	0.0267	0.1773	0.3371
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0267	0.1773	0.3372
Mycobacterium ulcerans	hydrolase	0.0053	0.0073	0.0385
Echinococcus granulosus	adam	0.043	0.3064	0.5828
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0096	0.0416	0.0549
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0267	0.1773	0.3372
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.028	0.1873	0.1872
Brugia malayi	Matrixin family protein	0.0105	0.0484	0.0484
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.0263	0.0499
Loa Loa (eye worm)	glutaminase	0.0282	0.1889	0.1888
Brugia malayi	Reprolysin	0.0173	0.1028	0.1028
Echinococcus multilocularis	adam 17 protease	0.0366	0.2558	0.4866
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0084	0.0325	0.0618
Toxoplasma gondii	isocitrate dehydrogenase	0.0084	0.0325	0.3383
Onchocerca volvulus	Papilin homolog	0.0403	0.2854	0.3769
Brugia malayi	Bromodomain containing protein	0.0091	0.0374	0.0373
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0001	0.0001
Schistosoma mansoni	hypothetical protein	0.0267	0.1773	0.3371
Loa Loa (eye worm)	metalloprotease	0.0173	0.1028	0.1028
Plasmodium falciparum	ataxin-2 like protein, putative	0.0165	0.0961	1
Loa Loa (eye worm)	hypothetical protein	0.063	0.4647	0.4646
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0053	0.0073	0.0073
Echinococcus multilocularis	isocitrate dehydrogenase	0.0084	0.0325	0.0619
Schistosoma mansoni	glutaminase	0.0282	0.1889	0.3591
Brugia malayi	Hemopexin family protein	0.0061	0.0142	0.0141
Toxoplasma gondii	LsmAD domain-containing protein	0.0165	0.0961	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0844	0.6345	0.6345
Schistosoma mansoni	hypothetical protein	0.0061	0.0142	0.0269
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0384	0.2699	0.5132
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0084	0.0325	0.3383
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0353	0.2456	0.2455
Trypanosoma brucei	PAB1-binding protein , putative	0.0165	0.0961	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0084	0.0325	0.3383
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0353	0.2456	0.2455
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0227	0.0433
Trypanosoma cruzi	PAB1-binding protein , putative	0.0165	0.0961	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0084	0.0325	0.3383
Entamoeba histolytica	hypothetical protein	0.0077	0.0263	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0384	0.2699	0.2698
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0073	0.0073
Brugia malayi	latrophilin 2 splice variant baaae	0.0577	0.4229	0.4228
Brugia malayi	isocitrate dehydrogenase	0.0084	0.0325	0.0325
Loa Loa (eye worm)	MH2 domain-containing protein	0.0486	0.3505	0.3505
Onchocerca volvulus	Matrilysin homolog	0.0096	0.0416	0.0549
Brugia malayi	follicle stimulating hormone receptor	0.028	0.1873	0.1872
Loa Loa (eye worm)	angiogenesis inhibito	0.0199	0.1232	0.1231
Brugia malayi	metalloprotease disintegrin 16 with thrombospondin type I motif	0.0173	0.1026	0.1026
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0227	0.0433
Brugia malayi	ADAMTS-like protease	0.0419	0.2978	0.2977
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0267	0.1773	0.3372
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0333	0.0332
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.023	0.1477	0.2809
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0084	0.0325	0.3383
Loa Loa (eye worm)	hypothetical protein	0.0403	0.2854	0.2853
Loa Loa (eye worm)	hypothetical protein	0.0394	0.2775	0.2774
Trichomonas vaginalis	glutaminase, putative	0.0282	0.1889	1
Schistosoma mansoni	ADAM17 peptidase (M12 family)	0.0366	0.2558	0.4865
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0844	0.6345	0.6345
Schistosoma mansoni	hypothetical protein	0.0077	0.0263	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0961	0.096

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 100 um	PUBCHEM_BIOASSAY: Chemical Antagonists IAP-family anti-apoptotic proteins. (Class of assay: confirmatory) [Related pubchem assays: 1513, 1514, 1449 ]	ChEMBL.	No reference
IC50 (binding)	> 100 uM	PUBCHEM_BIOASSAY: Counter Screen using XIAP-Bir3 for Chemical Antagonists of Bir1/2 domains of IAP-family anti-apoptotic proteins. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1018, AID1449, AID1514, AID1638, AID1749, AID1750, AID488957, AID488963]	ChEMBL.	No reference
Potency (functional)	= 0.0063 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.0063 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.122 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	4.1475 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 (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1541641

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 1405968