TDR Targets

Basic information

Technical information

TDR Targets ID: 1420991
Name: N-methyl-3-(piperidine-1-carbonyl)pyrazole-1- carboxamide
MW: 236.27 | Formula: C11H16N4O2
H donors: 1 H acceptors: 3 LogP: 0.58 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)n1ccc(n1)C(=O)N1CCCCC1
InChi: 1S/C11H16N4O2/c1-12-11(17)15-8-5-9(13-15)10(16)14-6-3-2-4-7-14/h5,8H,2-4,6-7H2,1H3,(H,12,17)
InChiKey: FWLYFZYJMIKTBH-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-methyl-3-[oxo-(1-piperidyl)methyl]-1-pyrazolecarboxamide
N-methyl-3-piperidin-1-ylcarbonyl-pyrazole-1-carboxamide
MLS000061508
N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
SMR000070687
Oprea1_232331
SDCCGMLS-0029474.P002
ZINC00442606

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
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0578	0.0442
Schistosoma mansoni	hypothetical protein	0.0067	0.1004	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0578	0.0578
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0106	0.1706	0.5154
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0578	0.1745
Mycobacterium ulcerans	glutaminase	0.0563	1	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.0381	0.514
Loa Loa (eye worm)	hypothetical protein	0.0207	0.3545	0.3545
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0578	0.0578
Trypanosoma brucei	PAB1-binding protein , putative	0.0053	0.0741	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0067	0.1004	0.3033
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.0381	0.514
Brugia malayi	Isocitrate dehydrogenase	0.0033	0.0381	0.0381
Toxoplasma gondii	ABC1 family protein	0.0043	0.0578	0.7791
Onchocerca volvulus		0.0043	0.0578	0.1629
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.0381	0.1151
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1615	0.1615
Schistosoma mansoni	hypothetical protein	0.0024	0.0216	0.0216
Leishmania major	hypothetical protein, conserved	0.0043	0.0578	0.5454
Schistosoma mansoni	hypothetical protein	0.0067	0.1004	0.1004
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0212	0.3628	0.3628
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.331	0.331
Onchocerca volvulus		0.0043	0.0578	0.1629
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0012	0	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0578	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0578	0.0578
Brugia malayi	TAR-binding protein	0.0194	0.331	0.331
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.0381	0.1151
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0578	0.0578
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.0381	0.514
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0578	0.0578
Schistosoma mansoni	glutaminase	0.0563	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0578	0.0578
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0578	1
Brugia malayi	beta-lactamase	0.0043	0.0578	0.0578
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0578	0.7791
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.331	0.331
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.331	0.331
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0578	0.7791
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0578	0.7791
Leishmania major	hypothetical protein, conserved	0.0053	0.0741	1
Schistosoma mansoni	hypothetical protein	0.0067	0.1004	0.1004
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0207	0.3545	1
Brugia malayi	hypothetical protein	0.0034	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0145	0.2413	0.2413
Loa Loa (eye worm)	RNA binding protein	0.0194	0.331	0.331
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0578	0.0578
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0067	0.1004	0.3033
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0212	0.3628	0.3628
Brugia malayi	RNA binding protein	0.0194	0.331	0.331
Treponema pallidum	DNA ligase (lig)	0.0012	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0578	0.0578
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0578	0.0442
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0024	0.0216	0.0654
Toxoplasma gondii	LsmAD domain-containing protein	0.0053	0.0741	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.0381	0.1151
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.331	0.331
Brugia malayi	beta-lactamase family protein	0.0043	0.0578	0.0578
Brugia malayi	isocitrate dehydrogenase	0.0033	0.0381	0.0381
Loa Loa (eye worm)	glutaminase 2	0.0563	1	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0024	0.0216	0.0654
Trichomonas vaginalis	glutaminase, putative	0.0563	1	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0033	0.0381	0.514
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0741	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0578	0.1745
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0033	0.0381	0.0381
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0741	1
Echinococcus granulosus	tar DNA binding protein	0.0194	0.331	1
Chlamydia trachomatis	DNA ligase	0.0012	0	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0067	0.1004	0.1004
Trichomonas vaginalis	esterase, putative	0.0043	0.0578	0.0578
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0067	0.1004	0.3033
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0033	0.0381	0.0381
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0578	0.0442
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.0381	0.514
Schistosoma mansoni	hypothetical protein	0.0145	0.2413	0.2413
Onchocerca volvulus		0.0043	0.0578	0.1629
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0578	0.0578
Brugia malayi	beta-lactamase family protein	0.0043	0.0578	0.0578
Echinococcus multilocularis	tar DNA binding protein	0.0194	0.331	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0578	0.0578
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0578	0.0578
Brugia malayi	hypothetical protein	0.0053	0.0741	0.0741
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0578	0.0578
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0067	0.1004	0.3033
Brugia malayi	N-terminal motif family protein	0.0207	0.3545	0.3545
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0578	0.0578
Entamoeba histolytica	hypothetical protein	0.0012	0	0.5
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0741	0.0741
Plasmodium vivax	ataxin-2 like protein, putative	0.0053	0.0741	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0067	0.1004	0.1004
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0578	0.7791
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0578	0.0442
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0578	0.0442
Loa Loa (eye worm)	glutaminase	0.0563	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0212	0.3628	0.3628
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0578	0.0578
Schistosoma mansoni	hypothetical protein	0.0067	0.1004	0.1004
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0194	0.331	0.331
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0033	0.0381	0.1151
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0578	0.0578
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0106	0.1706	0.5154
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0033	0.0381	0.514
Mycobacterium ulcerans	lipase LipD	0.0043	0.0578	0.0578
Brugia malayi	latrophilin 2 splice variant baaae	0.0145	0.2413	0.2413
Brugia malayi	Steroid receptor seven-up type 2	0.0106	0.1706	0.1706
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0741	1
Brugia malayi	Latrophilin receptor protein 2	0.0067	0.1004	0.1004
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0578	0.0578
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0012	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0212	0.3628	0.3628
Loa Loa (eye worm)	TAR-binding protein	0.0194	0.331	0.331
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0578	0.0578
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0578	0.0442
Brugia malayi	RNA recognition motif domain containing protein	0.0194	0.331	0.331
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0578	0.0578
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0741	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0578	0.0442
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0578	0.0442
Loa Loa (eye worm)	nuclear hormone receptor	0.01	0.1604	0.1604
Schistosoma mansoni	tar DNA-binding protein	0.0194	0.331	0.331
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0033	0.0381	0.514
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0033	0.0381	0.1151
Echinococcus granulosus	GPCR family 2	0.0067	0.1004	0.3033
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0578	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0033	0.0381	0.1151
Giardia lamblia	Replication factor C, subunit 1	0.0012	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1004	0.1004
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0033	0.0381	0.514
Echinococcus multilocularis	GPCR, family 2	0.0067	0.1004	0.3033
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0578	0.0578
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.4825	1
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0578	0.0442

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.7079 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)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1569207

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 1420991