TDR Targets

Basic information

Technical information

TDR Targets ID: 1267942
Name: 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2 ,4]triazin-5-yl)-N-(3-piperidin-1-ylpropyl)ac etamide
MW: 408.497 | Formula: C22H28N6O2
H donors: 1 H acceptors: 3 LogP: 2.2 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cn1nc(C)n2c(c1=O)cc(n2)c1ccccc1)NCCCN1CCCCC1
InChi: 1S/C22H28N6O2/c1-17-24-27(16-21(29)23-11-8-14-26-12-6-3-7-13-26)22(30)20-15-19(25-28(17)20)18-9-4-2-5-10-18/h2,4-5,9-10,15H,3,6-8,11-14,16H2,1H3,(H,23,29)
InChiKey: PMDMCEHBGFCECU-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

2-(7-methyl-4-oxo-2-phenyl-pyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[3-(1-piperidyl)propyl]acetamide
2-(7-methyl-4-oxo-2-phenyl-5-pyrazolo[1,5-d][1,2,4]triazinyl)-N-[3-(1-piperidyl)propyl]acetamide
2-(4-keto-7-methyl-2-phenyl-pyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(3-piperidinopropyl)acetamide
2-(7-methyl-4-oxo-2-phenyl-pyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(3-piperidin-1-ylpropyl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma mansoni	thyroid hormone receptor	0.0378	0.077	0.077
Plasmodium vivax	hypothetical protein, conserved	0.0275	0.0442	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0275	0.0442	0.0091
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0247	0.0356	0.0356
Loa Loa (eye worm)	prolyl oligopeptidase	0.0275	0.0442	0.0442
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.1906	0.5594	0.5594
Loa Loa (eye worm)	hypothetical protein	0.0275	0.0442	0.0442
Echinococcus granulosus	Dipeptidyl peptidase 9	0.1906	0.5594	0.5594
Loa Loa (eye worm)	hypothetical protein	0.0247	0.0356	0.0356
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0247	0.0356	0.0356
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.1931	0.5672	0.5672
Echinococcus granulosus	FTZ F1 alpha	0.0247	0.0356	0.0356
Brugia malayi	ecdysteroid receptor	0.0402	0.0844	0.0844
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0247	0.0356	0.0356
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.3302	1	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0671	0.1694	0.1694
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0671	0.1694	0.1694
Loa Loa (eye worm)	hypothetical protein	0.0247	0.0356	0.0356
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.1164	0.3252	0.6972
Loa Loa (eye worm)	hypothetical protein	0.0247	0.0356	0.0356
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.1906	0.5594	0.5432
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0247	0.0356	0.0356
Echinococcus multilocularis	carbonic anhydrase II	0.3302	1	1
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.1906	0.5594	0.5432
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0275	0.0442	0.0091
Echinococcus granulosus	carbonic anhydrase II	0.3302	1	1
Brugia malayi	prolyl oligopeptidase family protein	0.1906	0.5594	0.5594
Trypanosoma cruzi	prolyl endopeptidase	0.0275	0.0442	0.0091
Brugia malayi	Nuclear hormone receptor-like 1	0.0247	0.0356	0.0356
Leishmania major	oligopeptidase b	0.0275	0.0442	0.0091
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0275	0.0442	0.0091
Brugia malayi	prolyl oligopeptidase family protein	0.1931	0.5672	0.5672
Echinococcus granulosus	carbonic anhydrase	0.1551	0.4472	0.4472
Echinococcus granulosus	carbonic anhydrase	0.1551	0.4472	0.4472
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0275	0.0442	0.5
Loa Loa (eye worm)	hypothetical protein	0.1016	0.2784	0.2784
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0247	0.0356	0.0356
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.1931	0.5672	0.5672
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0275	0.0442	0.0442
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1551	0.4472	0.4472
Loa Loa (eye worm)	hypothetical protein	0.0247	0.0356	0.0356
Brugia malayi	prolyl oligopeptidase family protein	0.0275	0.0442	0.0442
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0671	0.1694	0.1694
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0247	0.0356	0.0356
Brugia malayi	hypothetical protein	0.089	0.2385	0.2385
Echinococcus multilocularis	carbonic anhydrase	0.1551	0.4472	0.4472
Echinococcus granulosus	ecdysone induced protein 78C	0.0247	0.0356	0.0356
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.1906	0.5594	0.5432
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0247	0.0356	0.0356
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0247	0.0356	0.0356
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.3302	1	1
Echinococcus multilocularis	geminin	0.0177	0.0133	0.0133
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0247	0.0356	0.0356
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0275	0.0442	0.0091
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.3302	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0275	0.0442	0.0091
Brugia malayi	Common central domain of tyrosinase family protein	0.0671	0.1694	0.1694
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0275	0.0442	0.0442
Brugia malayi	ShTK domain containing protein	0.0671	0.1694	0.1694
Brugia malayi	Steroid receptor seven-up type 2	0.0247	0.0356	0.0356
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0247	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.089	0.2385	0.2385
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0247	0.0356	0.0356
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0247	0.0356	0.0356
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0801	0.2105	0.2105
Loa Loa (eye worm)	steroid hormone receptor	0.0247	0.0356	0.0356
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0247	0.0356	0.0356
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0275	0.0442	0.0442
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1551	0.4472	0.4472
Loa Loa (eye worm)	prolyl oligopeptidase	0.1931	0.5672	0.5672
Schistosoma mansoni	carbonic anhydrase	0.1551	0.4472	0.4472
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.3302	1	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.1906	0.5594	0.5432
Loa Loa (eye worm)	tyrosinase 1	0.0671	0.1694	0.1694
Loa Loa (eye worm)	hypothetical protein	0.0247	0.0356	0.0356
Loa Loa (eye worm)	ShTK domain-containing protein	0.0671	0.1694	0.1694
Loa Loa (eye worm)	carbonic anhydrase 3	0.3302	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.1551	0.4472	0.4472
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0247	0.0356	0.0356
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0247	0.0356	0.0356
Schistosoma mansoni	coup transcription factor	0.0247	0.0356	0.0356
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1551	0.4472	0.4472
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0247	0.0356	0.0356
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0275	0.0442	0.5
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0275	0.0442	0.0091
Schistosoma mansoni	hypothetical protein	0.0177	0.0133	0.0133
Onchocerca volvulus		0.0671	0.1694	0.2516
Loa Loa (eye worm)	hypothetical protein	0.1551	0.4472	0.4472
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0275	0.0442	0.5
Loa Loa (eye worm)	hypothetical protein	0.0671	0.1694	0.1694
Loa Loa (eye worm)	ShTK domain-containing protein	0.0671	0.1694	0.1694
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0247	0.0356	0.0356
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0247	0.0356	0.0356
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0247	0.0356	0.0356
Toxoplasma gondii	hypothetical protein	0.1551	0.4472	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0247	0.0356	0.0356
Brugia malayi	nuclear hormone receptor	0.0247	0.0356	0.0356
Echinococcus multilocularis	prolyl endopeptidase	0.0275	0.0442	0.0442
Brugia malayi	prolyl oligopeptidase family protein	0.0275	0.0442	0.0442
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0275	0.0442	0.0442
Schistosoma mansoni	tyrosinase precursor	0.0671	0.1694	0.1694
Trypanosoma brucei	carbonic anhydrase-like protein	0.3302	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0247	0.0356	0.0356
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0247	0.0356	0.0356
Schistosoma mansoni	hypothetical protein	0.0177	0.0133	0.0133
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.1906	0.5594	0.5432
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0247	0.0356	0.0356
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.1906	0.5594	0.5594
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0275	0.0442	0.0091
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0247	0.0356	0.0356
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1551	0.4472	0.4472
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0275	0.0442	0.0442
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0247	0.0356	0.0356
Onchocerca volvulus		0.0671	0.1694	0.2516
Echinococcus multilocularis	ecdysone induced protein 78C	0.0247	0.0356	0.0356
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0247	0.0356	0.0356
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0275	0.0442	0.5
Schistosoma mansoni	tyrosinase precursor	0.0671	0.1694	0.1694
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0247	0.0356	0.0356
Echinococcus multilocularis	carbonic anhydrase	0.1551	0.4472	0.4472
Loa Loa (eye worm)	hypothetical protein	0.0275	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0402	0.0844	0.0844
Schistosoma mansoni	hypothetical protein	0.1551	0.4472	0.4472
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0247	0.0356	0.0356
Brugia malayi	nuclear receptor NHR-88	0.0247	0.0356	0.0356
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0247	0.0356	0.0356
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.3302	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0247	0.0356	0.0356
Onchocerca volvulus	Bile acid receptor homolog	0.0402	0.0844	0.0917
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0247	0.0356	0.0356
Echinococcus granulosus	carbonic anhydrase	0.1551	0.4472	0.4472
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0247	0.0356	0.0356
Brugia malayi	steroid hormone receptor	0.0247	0.0356	0.0356
Schistosoma mansoni	carbonic anhydrase-related	0.1551	0.4472	0.4472
Schistosoma mansoni	carbonic anhydrase-related	0.1551	0.4472	0.4472
Trypanosoma brucei	oligopeptidase b	0.0275	0.0442	0.0091
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0247	0.0356	0.0356
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0247	0.0356	0.0356
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0275	0.0442	0.5
Echinococcus granulosus	acylamino acid releasing enzyme	0.0275	0.0442	0.0442
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0378	0.077	0.077
Onchocerca volvulus		0.0671	0.1694	0.2516
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0671	0.1694	0.1694
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0275	0.0442	0.5
Loa Loa (eye worm)	hypothetical protein	0.0247	0.0356	0.0356
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0275	0.0442	0.5
Onchocerca volvulus		0.0671	0.1694	0.2516
Trypanosoma brucei	prolyl endopeptidase	0.0275	0.0442	0.0091
Trypanosoma cruzi	oligopeptidase b	0.0275	0.0442	0.0091
Entamoeba histolytica	hypothetical protein, conserved	0.0275	0.0442	0.5
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.1931	0.5672	0.5672
Loa Loa (eye worm)	hypothetical protein	0.0671	0.1694	0.1694
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1551	0.4472	0.4472
Schistosoma mansoni	RAR-like nuclear receptor	0.0247	0.0356	0.0356
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0275	0.0442	0.0091
Brugia malayi	prolyl oligopeptidase family protein	0.0275	0.0442	0.0442
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0247	0.0356	0.0356
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0247	0.0356	0.0356
Plasmodium falciparum	carbonic anhydrase	0.1551	0.4472	1
Loa Loa (eye worm)	hypothetical protein	0.1551	0.4472	0.4472
Schistosoma mansoni	thyroid hormone receptor	0.0378	0.077	0.077
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.3302	1	1
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.1931	0.5672	1
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0275	0.0442	0.0162
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0275	0.0442	0.0091
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0275	0.0442	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0247	0.0356	0.0356
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0275	0.0442	0.5
Trypanosoma cruzi	oligopeptidase b	0.0275	0.0442	0.0091
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1551	0.4472	0.4472
Echinococcus multilocularis	FTZ F1 alpha	0.0247	0.0356	0.0356
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0275	0.0442	0.5
Loa Loa (eye worm)	hypothetical protein	0.1551	0.4472	0.4472
Leishmania major	carbonic anhydrase-like protein	0.3302	1	1
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0275	0.0442	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.0453	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0247	0.0356	0.0356
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0247	0.0356	0.0356
Echinococcus granulosus	geminin	0.0177	0.0133	0.0133
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0247	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0247	0.0356	0.0356
Echinococcus multilocularis	carbonic anhydrase	0.1551	0.4472	0.4472
Trichomonas vaginalis	conserved hypothetical protein	0.0275	0.0442	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0247	0.0356	0.0356
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0247	0.0356	0.0356
Echinococcus granulosus	prolyl endopeptidase	0.0275	0.0442	0.0442
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0247	0.0356	0.0356

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.7783 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)	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)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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: CHEMBL1374952

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1267942