TDR Targets

Basic information

Technical information

TDR Targets ID: 1421590
Name: 2-dimethylamino-4-(2-dimethylaminoethyl-(phen ylmethyl)amino)pyridine-3-carbonitrile
MW: 323.435 | Formula: C19H25N5
H donors: 0 H acceptors: 2 LogP: 2.68 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(ccnc1N(C)C)N(Cc1ccccc1)CCN(C)C
InChi: 1S/C19H25N5/c1-22(2)12-13-24(15-16-8-6-5-7-9-16)18-10-11-21-19(23(3)4)17(18)14-20/h5-11H,12-13,15H2,1-4H3
InChiKey: UWCHZLHBUCHJFR-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-dimethylamino-4-(2-dimethylaminoethyl-(phenylmethyl)amino)-3-pyridinecarbonitrile
4-(benzyl-(2-dimethylaminoethyl)amino)-2-dimethylamino-nicotinonitrile
STOCK1S-31542
CBMicro_041782
MLS000109600
SMR000105540
Oprea1_163147
BIM-0041905.P001

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) 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
Echinococcus granulosus	guanine nucleotide binding protein Gs 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 multilocularis	guanine nucleotide binding protein G(s) subunit	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
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
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470

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 granulosus	ATP dependent DNA helicase Q5	0.001	0.0144	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0582	0.064
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0582	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0184	0.5092	0.5021
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0877	0.0877
Entamoeba histolytica	hypothetical protein	0.0184	0.5092	1
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0231	0.0453
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0144	0.1644
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0142	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1423	0.1423
Schistosoma mansoni	hypothetical protein	0.0184	0.5092	0.5092
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0323	0.0184
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0178	0.0037
Schistosoma mansoni	DNA helicase recq5	0.001	0.0144	0.0144
Chlamydia trachomatis	DNA ligase	0.001	0.0142	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3657	0.3657
Echinococcus multilocularis	geminin	0.0356	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0134	0.3657	0.5119
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3657	0.3657
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0877	0.0745
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0144	0.0002
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0582	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0323	0.0264
Leishmania major	hypothetical protein, conserved	0.0026	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1346	0.1753
Brugia malayi	hypothetical protein	0.0017	0.0322	0.0263
Schistosoma mansoni	hypothetical protein	0.0017	0.0323	0.0323
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1423	0.1299
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0323	0.0264
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0142	0.0279
Brugia malayi	TAR-binding protein	0.0134	0.3657	0.5119
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0142	0.1622
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0323	0.0184
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0323	0.0264
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0323	0.0184
Schistosoma mansoni	hypothetical protein	0.0036	0.0873	0.0873
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0839	0.0707
Echinococcus multilocularis	bloom syndrome protein	0.0025	0.0562	0.0426
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.1346	0.1753
Entamoeba histolytica	hypothetical protein	0.0184	0.5092	1
Brugia malayi	hypothetical protein	0.0026	0.0582	0.064
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3657	0.3657
Schistosoma mansoni	transcription factor LCR-F1	0.0184	0.5092	0.5092
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0326	0.3719
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.0413	0.0413
Schistosoma mansoni	hypothetical protein	0.0356	1	1
Brugia malayi	Pre-SET motif family protein	0.0251	0.7007	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0476	0.7591
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0877	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0323	0.0323
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0184	0.5092	0.5021
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0134	0.3657	0.5119
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0142	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0877	0.107
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0142	0.5
Schistosoma mansoni	DNA helicase recq1	0.001	0.0144	0.0144
Brugia malayi	RNA binding protein	0.0134	0.3657	0.5119
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0144	0.0002
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1423	0.1866
Onchocerca volvulus		0.0286	0.7996	1
Loa Loa (eye worm)	TAR-binding protein	0.0134	0.3657	0.5119
Onchocerca volvulus		0.0036	0.0877	0.0935
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0144	0.0003
Entamoeba histolytica	hypothetical protein	0.001	0.0142	0.0279
Brugia malayi	Pre-SET motif family protein	0.0036	0.0877	0.107
Loa Loa (eye worm)	hypothetical protein	0.001	0.0144	0.0003
Plasmodium vivax	SET domain protein, putative	0.0036	0.0877	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0017	0.0332	0.258
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1423	0.1423
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1423	0.1866
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0582	1
Schistosoma mansoni	topbp1	0.001	0.0142	0.0142
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0231	0.0113
Schistosoma mansoni	topbp1	0.001	0.0142	0.0142
Schistosoma mansoni	hypothetical protein	0.0356	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0134	0.3657	0.3565
Entamoeba histolytica	hypothetical protein	0.0184	0.5092	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0178	0.0037
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1423	0.1423
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3657	0.3657
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0144	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0582	0.5984
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0142	0.0142
Brugia malayi	hypothetical protein	0.0184	0.5092	0.7209
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.7007	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0144	0.0003
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0877	0.0745
Brugia malayi	Bloom's syndrome protein homolog	0.0025	0.0562	0.0612
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0142	0.1622
Trichomonas vaginalis	DNA helicase recq1, putative	0.0025	0.0562	0.0535
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1423	0.1299
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0877	0.0877
Loa Loa (eye worm)	RecQ helicase	0.0025	0.0562	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0873	0.1064
Schistosoma mansoni	DNA ligase IV	0.001	0.0142	0.0142
Schistosoma mansoni	hypothetical protein	0.0017	0.0323	0.0323
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0323	0.0184
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0582	0.6636
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0323	0.0264
Schistosoma mansoni	hypothetical protein	0.0017	0.0323	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0126	0.3435	0.4797
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0877	0.0877
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.1346	0.1753
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0144	0.1644
Echinococcus granulosus	tar DNA binding protein	0.0134	0.3657	0.3565
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0144	0.0002
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0144	0.0003
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0877	0.0745
Echinococcus granulosus	GPCR family 2	0.0017	0.0323	0.0184
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.7996	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1423	0.1299
Schistosoma mansoni	hypothetical protein	0.0012	0.0178	0.0178
Treponema pallidum	DNA ligase (lig)	0.001	0.0142	0.5
Entamoeba histolytica	hypothetical protein	0.0184	0.5092	1
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.0144	0.0043
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0877	0.0877
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.1346	0.1753
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0323	0.0184
Loa Loa (eye worm)	RNA binding protein	0.0134	0.3657	0.5119
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0582	1
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0231	0.2011
Echinococcus granulosus	bloom syndrome protein	0.0025	0.0562	0.0426
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1423	0.1299
Trichomonas vaginalis	DNA helicase recq, putative	0.0025	0.0562	0.0535
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0582	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0873	0.1064
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0231	0.2011
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3657	0.3657

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.9811 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)	7.9433 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	= 44.6684 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)	63.0957 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL1570089

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1421590