TDR Targets

Basic information

Technical information

TDR Targets ID: 1071402
Name: 2-[4-[2-(2-methoxypyridin-3-yl)-3H-benzimidaz ol-5-yl]piperidin-1-yl]-N-methylethanamine
MW: 365.472 | Formula: C21H27N5O
H donors: 2 H acceptors: 2 LogP: 2.53 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CNCCN1CCC(CC1)c1ccc2c(c1)nc([nH]2)c1cccnc1OC
InChi: 1S/C21H27N5O/c1-22-10-13-26-11-7-15(8-12-26)16-5-6-18-19(14-16)25-20(24-18)17-4-3-9-23-21(17)27-2/h3-6,9,14-15,22H,7-8,10-13H2,1-2H3,(H,24,25)
InChiKey: OTBWCISHRYYXTG-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-[4-[2-(2-methoxy-3-pyridyl)-3H-benzimidazol-5-yl]-1-piperidyl]-N-methyl-ethanamine
2-[4-[2-(2-methoxy-3-pyridyl)-3H-benzimidazol-5-yl]-1-piperidinyl]-N-methylethanamine
2-[4-[2-(2-methoxy-3-pyridyl)-3H-benzimidazol-5-yl]-1-piperidyl]ethyl-methyl-amine
2-[4-[2-(2-methoxypyridin-3-yl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methyl-ethanamine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	coactivator-associated arginine methyltransferase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	histone arginine methyltransferase CARMER	Get druggable targets OG5_131706	All targets in OG5_131706
Toxoplasma gondii	histone arginine methyltransferase PRMT4/CARM1	Get druggable targets OG5_131706	All targets in OG5_131706
Loa Loa (eye worm)	Carm1-pending protein	Get druggable targets OG5_131706	All targets in OG5_131706
Neospora caninum	Protein arginine methyltransferase, related	Get druggable targets OG5_131706	All targets in OG5_131706
Echinococcus granulosus	histone arginine methyltransferase CARMER	Get druggable targets OG5_131706	All targets in OG5_131706
Onchocerca volvulus		Get druggable targets OG5_131706	All targets in OG5_131706
Schistosoma mansoni	protein arginine n-methyltransferase	Get druggable targets OG5_131706	All targets in OG5_131706
Schistosoma japonicum	ko:K05931 Arginine methyltransferase 4 [EC:2.1.1.125], putative	Get druggable targets OG5_131706	All targets in OG5_131706
Brugia malayi	Carm1-pending protein	Get druggable targets OG5_131706	All targets in OG5_131706

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
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0201	0.023
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0273	0.0715
Schistosoma mansoni	hypothetical protein	0.0032	0.0343	0.09
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0068	0.113	0.2961
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0273	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0343	0.09
Loa Loa (eye worm)	PHD-finger family protein	0.0062	0.1004	0.1149
Schistosoma mansoni	hypothetical protein	0.0069	0.1156	0.3027
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0229	0.0262
Brugia malayi	Bromodomain containing protein	0.0225	0.4591	0.5251
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.044	0.1228
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1156	0.1322
Loa Loa (eye worm)	hypothetical protein	0.0212	0.4308	0.4928
Loa Loa (eye worm)	hypothetical protein	0.0027	0.024	0.0275
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0405	0.1132
Echinococcus granulosus	zinc finger protein	0.0059	0.0935	0.261
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.1856	0.2122
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0108	0.2014	0.5622
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0531	0.1392
Schistosoma mansoni	intermediate filament proteins	0.0027	0.024	0.063
Onchocerca volvulus	Alhambra homolog	0.0029	0.0273	0.0033
Trypanosoma cruzi	ISWI complex protein	0.0046	0.0653	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.011	0.2073	0.579
Entamoeba histolytica	hypothetical protein	0.0036	0.044	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.044	0.1152
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0059	0.0949	0.2485
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0343	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2331	0.2666
Toxoplasma gondii	histone arginine methyltransferase PRMT4/CARM1	0.0154	0.3027	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.024	0.0275
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.1705	0.476
Trypanosoma brucei	ISWI complex protein	0.0046	0.0653	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0057	0.0901	0.2515
Schistosoma mansoni	lamin	0.0027	0.024	0.063
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0343	0.0959
Schistosoma mansoni	protein arginine n-methyltransferase	0.0154	0.3027	0.793
Brugia malayi	PHD-finger family protein	0.0075	0.1287	0.1472
Leishmania major	hypothetical protein, conserved	0.0046	0.0653	1
Schistosoma mansoni	hypothetical protein	0.0062	0.1004	0.2631
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0059	0.0949	0.2649
Schistosoma mansoni	bromodomain containing protein	0.019	0.3818	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0238	0.4876	0.5577
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0519	0.145
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0519	0.145
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.1856	0.2122
Brugia malayi	jmjC domain containing protein	0.004	0.0531	0.0608
Brugia malayi	intermediate filament protein	0.0027	0.024	0.0275
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.011	0.2073	0.5432
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.1281	0.3356
Echinococcus granulosus	lysine specific demethylase 5A	0.004	0.0531	0.1484
Plasmodium vivax	SET domain protein, putative	0.0059	0.0949	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0273	0.0715
Echinococcus granulosus	histone arginine methyltransferase CARMER	0.0154	0.3027	0.8453
Schistosoma mansoni	hypothetical protein	0.0032	0.0343	0.09
Trypanosoma cruzi	ISWI complex protein	0.0046	0.0653	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.044	0.1228
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0108	0.2014	0.5622
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.024	0.0275
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0273	0.0762
Onchocerca volvulus		0.0059	0.0949	0.0726
Echinococcus granulosus	fetal alzheimer antigen falz	0.0068	0.113	0.3157
Entamoeba histolytica	hypothetical protein	0.0036	0.044	0.5
Echinococcus multilocularis	lamin dm0	0.0027	0.024	0.0671
Brugia malayi	hypothetical protein	0.0025	0.0201	0.023
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0343	0.0959
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0943	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0723	0.0826
Schistosoma mansoni	hypothetical protein	0.0032	0.0343	0.09
Echinococcus granulosus	histone lysine methyltransferase setb	0.011	0.2073	0.579
Brugia malayi	Bromodomain containing protein	0.0036	0.0429	0.0491
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0051	0.0768	0.2145
Echinococcus granulosus	intermediate filament protein	0.0027	0.024	0.0671
Loa Loa (eye worm)	Carm1-pending protein	0.0154	0.3027	0.3463
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0179	0.3581	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.1156	0.1322
Schistosoma mansoni	hypothetical protein	0.0036	0.044	0.1152
Brugia malayi	Bromodomain containing protein	0.0115	0.217	0.2482
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0273	0.0253
Loa Loa (eye worm)	bromodomain containing protein	0.0053	0.0809	0.0925
Echinococcus granulosus	lamin dm0	0.0027	0.024	0.0671
Brugia malayi	Pre-SET motif family protein	0.0414	0.8743	1
Echinococcus multilocularis	musashi	0.0027	0.024	0.0671
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0343	0.0959
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0343	0.0959
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0949	0.2485
Echinococcus multilocularis	lamin	0.0027	0.024	0.0671
Brugia malayi	MH2 domain containing protein	0.0238	0.4876	0.5577
Echinococcus granulosus	lamin	0.0027	0.024	0.0671
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.011	0.2073	0.5432
Echinococcus multilocularis	peregrin	0.0036	0.0429	0.1198
Brugia malayi	PHD-finger family protein	0.0029	0.0273	0.0312
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0343	0.0393
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0414	0.8743	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0051	0.0768	0.2013
Echinococcus granulosus	GPCR family 2	0.0032	0.0343	0.0959
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0343	0.0393
Brugia malayi	hypothetical protein	0.0016	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0115	0.2174	0.2487
Brugia malayi	Pre-SET motif family protein	0.0059	0.0949	0.1085
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.1856	0.2122
Loa Loa (eye worm)	hypothetical protein	0.011	0.2073	0.2372
Brugia malayi	Carm1-pending protein	0.0154	0.3027	0.3463
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0273	0.0253
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0068	0.113	0.3157
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0059	0.0949	0.2644
Schistosoma mansoni	hypothetical protein	0.0046	0.0653	0.171
Schistosoma mansoni	lamin	0.0027	0.024	0.063
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.1705	0.476
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0273	0.0762
Schistosoma mansoni	zinc finger protein	0.0046	0.0653	0.171
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0343	0.0393
Loa Loa (eye worm)	jmjC domain-containing protein	0.004	0.0531	0.0608
Onchocerca volvulus		0.014	0.2723	0.2544
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0179	0.3581	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.2457	0.281
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0531	0.1392
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0051	0.0768	0.2145
Brugia malayi	F/Y-rich N-terminus family protein	0.0017	0.0023	0.0027
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0273	0.0312
Brugia malayi	hypothetical protein	0.0036	0.044	0.0503
Echinococcus granulosus	peregrin	0.0036	0.0429	0.1198
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0273	0.0956
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0051	0.0768	0.2013
Brugia malayi	jmjC domain containing protein	0.0094	0.1705	0.195
Entamoeba histolytica	hypothetical protein	0.0036	0.044	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1856	0.2122
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0343	0.0959
Giardia lamblia	PHD finger protein 15	0.0029	0.0273	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0238	0.4876	0.5577
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0273	0.0312
Schistosoma mansoni	zinc finger protein	0.0059	0.0935	0.2449
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.024	0.0275
Echinococcus multilocularis	zinc finger protein	0.0059	0.0935	0.261
Entamoeba histolytica	hypothetical protein	0.0036	0.044	0.5
Echinococcus multilocularis	histone arginine methyltransferase CARMER	0.0154	0.3027	0.8453

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.2 nM	Inhibition of human CARM1 assessed as inhibition of histone3 methylation	ChEMBL.	19632837

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: CHEMBL569225

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1071402