TDR Targets

Basic information

Technical information

TDR Targets ID: 1376860
Name: 1-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-N -methyl-N-(pyridin-3-ylmethyl)methanamine
MW: 326.823 | Formula: C18H19ClN4
H donors: 0 H acceptors: 2 LogP: 2.78 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1cn(nc1c1cccc(c1)Cl)C)Cc1cccnc1
InChi: 1S/C18H19ClN4/c1-22(11-14-5-4-8-20-10-14)12-16-13-23(2)21-18(16)15-6-3-7-17(19)9-15/h3-10,13H,11-12H2,1-2H3
InChiKey: UWVWCILBSUBAHT-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-[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]-N-methyl-N-(3-pyridylmethyl)methanamine
1-[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]-N-methyl-N-(3-pyridylmethyl)methanamine
[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl-methyl-(3-pyridylmethyl)amine
1-[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
MLS000732120
SMR000316450

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723

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	lamin	0.0033	0.0122	0.3503
Brugia malayi	Ribokinase	0.0079	0.0347	0.0347
Schistosoma mansoni	regulator of G protein signaling	0.0011	0.0015	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0347	0.0347
Brugia malayi	DIX domain containing protein	0.0011	0.0015	0.0015
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0015	0.0433
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0015	0.0433
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0011	0.0015	0.0015
Entamoeba histolytica	tagatose-6-phosphate kinase, putative	0.0079	0.0347	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0015
Leishmania major	putative PfkB family sugar kinase	0.0079	0.0347	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0037	0.0037
Onchocerca volvulus		0.0033	0.0122	0.0122
Mycobacterium tuberculosis	Adenosine kinase	0.0079	0.0347	0.5
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0039	0.1134
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0122	0.3503
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0015
Leishmania major	adenosine kinase, putative	0.0079	0.0347	0.5
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0039	0.1134
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0011	0.0015	0.0433
Mycobacterium ulcerans	carbohydrate kinase CbhK	0.0079	0.0347	0.5
Trichomonas vaginalis	ribokinase, putative	0.0079	0.0347	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0347	1
Entamoeba histolytica	fructokinase, putative	0.0079	0.0347	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0037	0.0037
Leishmania major	tagatose-6-phosphate kinase-like protein	0.0079	0.0347	0.5
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0015	0.0015
Brugia malayi	intermediate filament protein	0.0033	0.0122	0.0122
Toxoplasma gondii	kinase, pfkB family protein	0.0079	0.0347	1
Trypanosoma cruzi	adenosine kinase, putative	0.0079	0.0347	1
Trypanosoma cruzi	adenosine kinase, putative	0.0079	0.0347	1
Onchocerca volvulus		0.2054	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0122	0.0122
Echinococcus granulosus	pseudouridine metabolizing bifunctional protein	0.0079	0.0347	1
Trypanosoma brucei	ribokinase, putative	0.0079	0.0347	0.5
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0015	0.0433
Echinococcus granulosus	adenosine kinase	0.0079	0.0347	1
Trypanosoma brucei	adenosine kinase, putative	0.0079	0.0347	0.5
Trichomonas vaginalis	ribokinase, putative	0.0079	0.0347	1
Echinococcus multilocularis	lamin	0.0033	0.0122	0.3503
Echinococcus granulosus	lamin	0.0033	0.0122	0.3503
Loa Loa (eye worm)	DIX domain-containing protein	0.0011	0.0015	0.0015
Leishmania major	adenosine kinase-like protein	0.0079	0.0347	0.5
Schistosoma mansoni	lamin	0.0033	0.0122	0.3503
Echinococcus granulosus	intermediate filament protein	0.0033	0.0122	0.3503
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0122	0.0122
Echinococcus multilocularis	lamin dm0	0.0033	0.0122	0.3503
Entamoeba histolytica	kinase, PfkB family	0.0079	0.0347	1
Brugia malayi	regulator of G-protein signaling egl-10	0.0011	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0347	0.0347
Mycobacterium tuberculosis	6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase)	0.0079	0.0347	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0119	0.0119
Brugia malayi	Adenosine kinase-like	0.0079	0.0347	0.0347
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0011	0.0015	0.0015
Schistosoma mansoni	dishevelled	0.0011	0.0015	0.0433
Trypanosoma brucei	adenosine kinase, putative	0.0079	0.0347	0.5
Onchocerca volvulus	Putative pyridoxal kinase	0.0079	0.0347	0.0347
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0015	0.0433
Echinococcus multilocularis	ribokinase	0.0079	0.0347	1
Giardia lamblia	Ribokinase	0.0079	0.0347	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0015	0.0433
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0011	0.0015	0.0433
Mycobacterium leprae	Probable adenosine kinase adk	0.0079	0.0347	0.5
Trypanosoma cruzi	ribokinase, putative	0.0079	0.0347	1
Schistosoma mansoni	dep domain containing protein	0.0011	0.0015	0.0433
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0015	0.0433
Mycobacterium ulcerans	fructokinase, PfkB	0.0079	0.0347	0.5
Schistosoma mansoni	dishevelled	0.0011	0.0015	0.0433
Echinococcus granulosus	ribokinase	0.0079	0.0347	1
Entamoeba histolytica	ribokinase, putative	0.0079	0.0347	1
Schistosoma mansoni	adenosine kinase	0.0079	0.0347	1
Schistosoma mansoni	z-protein (S1r protein)	0.0011	0.0015	0.0433
Leishmania major	ribokinase, putative	0.0079	0.0347	0.5
Trypanosoma brucei	ribokinase, putative	0.0079	0.0347	0.5
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0048	0.0048
Brugia malayi	hypothetical protein	0.0011	0.0015	0.0015
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0011	0.0015	0.0433
Leishmania major	tagatose-6-phosphate kinase-like protein	0.0079	0.0347	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0039	0.0039
Trichomonas vaginalis	ribokinase, putative	0.0079	0.0347	1
Onchocerca volvulus		0.0011	0.0015	0.0015
Onchocerca volvulus	Ribokinase homolog	0.0079	0.0347	0.0347
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.1028	0.1028
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0015	0.0015
Mycobacterium tuberculosis	Ribokinase RbsK	0.0079	0.0347	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0122	0.0122
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0122	0.0122
Trypanosoma cruzi	adenosine kinase, putative	0.0079	0.0347	1
Echinococcus granulosus	lamin dm0	0.0033	0.0122	0.3503
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0015	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0015
Trypanosoma cruzi	adenosine kinase, putative	0.0079	0.0347	1
Leishmania major	adenosine kinase-like protein	0.0079	0.0347	0.5
Loa Loa (eye worm)	hypothetical protein	0.0218	0.1028	0.1028
Brugia malayi	hypothetical protein	0.0011	0.0015	0.0015
Entamoeba histolytica	Hypothetical protein T24C12.3, putative	0.0079	0.0347	1
Schistosoma mansoni	adenosine kinase	0.0079	0.0347	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0015	0.0433
Echinococcus multilocularis	pseudouridine metabolizing bifunctional protein	0.0079	0.0347	1
Schistosoma mansoni	ribokinase	0.0079	0.0347	1
Toxoplasma gondii	kinase, pfkB family protein	0.0079	0.0347	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0048	0.0048
Brugia malayi	N-terminal motif family protein	0.0218	0.1028	0.1028
Echinococcus multilocularis	musashi	0.0033	0.0122	0.3503
Loa Loa (eye worm)	hypothetical protein	0.2054	1	1
Echinococcus multilocularis	adenosine kinase	0.0079	0.0347	1
Onchocerca volvulus		0.0033	0.0122	0.0122

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3294 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)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	141.2538 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	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: CHEMBL1509464

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1376860