TDR Targets

Basic information

Technical information

TDR Targets ID: 1452079
Name: 1-(4-methylpyrimidin-2-yl)-N'-(2-naphthalen-1 -yloxyacetyl)piperidine-4-carbohydrazide
MW: 419.476 | Formula: C23H25N5O3
H donors: 2 H acceptors: 4 LogP: 3.29 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(COc1cccc2c1cccc2)NNC(=O)C1CCN(CC1)c1nccc(n1)C
InChi: 1S/C23H25N5O3/c1-16-9-12-24-23(25-16)28-13-10-18(11-14-28)22(30)27-26-21(29)15-31-20-8-4-6-17-5-2-3-7-19(17)20/h2-9,12,18H,10-11,13-15H2,1H3,(H,26,29)(H,27,30)
InChiKey: AXFOYPGERCDPAG-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

1-(4-methylpyrimidin-2-yl)-N'-[2-(1-naphthyloxy)acetyl]piperidine-4-carbohydrazide
1-(4-methyl-2-pyrimidinyl)-N'-[2-(1-naphthyloxy)-1-oxoethyl]-4-piperidinecarbohydrazide
1-(4-methylpyrimidin-2-yl)-N'-[2-(1-naphthyloxy)acetyl]isonipecotohydrazide
1-(4-methylpyrimidin-2-yl)-N'-(2-naphthalen-1-yloxyethanoyl)piperidine-4-carbohydrazide
ZINC04965947
ASN 06578415
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid N'-[2-(naphthalen-1-yloxy)-acetyl]-hydrazide
MLS000559666
SMR000173469

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0146	0.0313
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2919	0.6229
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2919	0.6229
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4686	0.5
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0085	0.4686	1
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0009	0.0146	0.0313
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0036	0.1771	0.2104
Brugia malayi	regulator of G-protein signaling egl-10	0.0009	0.0146	0.0146
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2919	0.6229
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2919	0.6229
Schistosoma mansoni	inositol monophosphatase	0.004	0.2021	0.4314
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0009	0.0146	0.0146
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0009	0.0146	0.0146
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.3273	0.3273
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.4686	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0174	1	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4686	1
Brugia malayi	hypothetical protein	0.0009	0.0146	0.0146
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.004	0.2021	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0146	0.0313
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0036	0.1771	0.1194
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0031	0.1458	0.3112
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0174	1	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0146	0.0313
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.3273	0.3273
Schistosoma mansoni	dishevelled	0.0009	0.0146	0.0313
Brugia malayi	TAR-binding protein	0.0061	0.3273	0.3273
Brugia malayi	hypothetical protein	0.0009	0.0146	0.0146
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.2021	1
Loa Loa (eye worm)	RNA binding protein	0.0061	0.3273	0.3273
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0146	0.0146
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.2919	0.2919
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0085	0.4686	1
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.3273	0.3273
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0146	0.0313
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3273	0.6985
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0031	0.1458	0.1458
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0146	0.0313
Schistosoma mansoni	dishevelled	0.0009	0.0146	0.0313
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.3273	0.6985
Schistosoma mansoni	inositol monophosphatase	0.004	0.2021	0.4314
Schistosoma mansoni	dep domain containing protein	0.0009	0.0146	0.0313
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.2021	1
Toxoplasma gondii	hypothetical protein	0.0029	0.1376	0.2709
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0009	0.0146	0.0313
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2919	0.6229
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4686	1
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0146	0.0313
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0056	0.2946	0.4744
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3273	0.6985
Brugia malayi	RNA binding protein	0.0061	0.3273	0.3273
Loa Loa (eye worm)	hypothetical protein	0.0085	0.4686	0.4686
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0146	0.0313
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0056	0.2946	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0031	0.1458	0.3112
Schistosoma mansoni	peptidase Clp (S14 family)	0.0085	0.4686	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0146	0.0313
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0056	0.2946	0.6287
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.1458	0.3112
Brugia malayi	Inositol-1	0.004	0.2021	0.2021
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.1458	0.3112
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.2021	1
Echinococcus multilocularis	inositol monophosphatase 1	0.004	0.2021	0.4314
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4686	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2919	0.6229
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4686	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0031	0.1458	0.289
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0031	0.1458	0.3112
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0031	0.1458	0.0249
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0031	0.1458	0.0249
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.004	0.2021	0.413
Brugia malayi	isocitrate dehydrogenase	0.0031	0.1458	0.1458
Brugia malayi	Probable ClpP-like protease	0.0085	0.4686	0.4686
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4686	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.4686	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0031	0.1458	0.289
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0031	0.1458	0.7215
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.2919	0.2919
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0146	0.0313
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3273	0.6985
Brugia malayi	Isocitrate dehydrogenase	0.0031	0.1458	0.1458
Echinococcus granulosus	peptidase Clp S14 family	0.0056	0.2946	0.6287
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.2021	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0031	0.1458	0.7215
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0056	0.2946	1
Echinococcus granulosus	inositol monophosphatase 1	0.004	0.2021	0.4314
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3273	0.6985
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0146	0.0146
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0085	0.4686	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0085	0.4686	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0146	0.0146
Loa Loa (eye worm)	inositol-1	0.004	0.2021	0.2021
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2919	0.6229
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0146	0.0313
Echinococcus granulosus	tar DNA binding protein	0.0061	0.3273	0.6985
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.1458	0.3112
Onchocerca volvulus		0.0009	0.0146	0.0146
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0146	0.0313
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.3273	0.6985
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4686	0.5
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.004	0.2021	1
Brugia malayi	DIX domain containing protein	0.0009	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0146	0.0146
Echinococcus multilocularis	isocitrate dehydrogenase	0.0031	0.1458	0.3112
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.2021	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.004	0.2021	1
Loa Loa (eye worm)	DIX domain-containing protein	0.0009	0.0146	0.0146

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.2944 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)	11.2202 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
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	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: CHEMBL1586934

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1452079