TDR Targets

Basic information

Technical information

TDR Targets ID: 1479437
Name: N,N,3-trimethylquinoline-2,4-diamine
MW: 201.268 | Formula: C12H15N3
H donors: 1 H acceptors: 1 LogP: 2.33 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1nc2ccccc2c(c1C)N)C
InChi: 1S/C12H15N3/c1-8-11(13)9-6-4-5-7-10(9)14-12(8)15(2)3/h4-7H,1-3H3,(H2,13,14)
InChiKey: AXUBKLLTEIJCBG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

(4-amino-3-methyl-2-quinolyl)-dimethyl-amine
STOCK1S-07711
Oprea1_328176

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	neuroligin 3 (S09 family)	0.015	0.1495	0.1495
Brugia malayi	Pre-SET motif family protein	0.0216	0.2253	0.2203
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0123	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0276	0.0263
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0313	0.03
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.015	0.1495	0.1495
Echinococcus granulosus	carboxylesterase 5A	0.0888	1	1
Schistosoma mansoni	hypothetical protein	0.0021	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.015	0.1495	0.1484
Loa Loa (eye worm)	hypothetical protein	0.0245	0.2592	0.2582
Echinococcus granulosus	para nitrobenzyl esterase	0.015	0.1495	0.1495
Onchocerca volvulus		0.015	0.1495	0.5548
Echinococcus multilocularis	BC026374 protein (S09 family)	0.015	0.1495	0.1495
Echinococcus granulosus	neuroligin	0.015	0.1495	0.1495
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0196	0.0196
Echinococcus granulosus	BC026374 protein S09 family	0.015	0.1495	0.1495
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0035	0.0035
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0049	0.0327	0.0327
Echinococcus multilocularis	carboxylesterase 5A	0.0888	1	1
Schistosoma mansoni	bromodomain containing protein	0.0066	0.0522	0.0522
Brugia malayi	hypothetical protein	0.0037	0.0196	0.0133
Loa Loa (eye worm)	carboxylesterase	0.015	0.1495	0.1484
Echinococcus granulosus	acetylcholinesterase	0.0888	1	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.015	0.1495	0.5
Brugia malayi	hypothetical protein	0.015	0.1495	0.1441
Brugia malayi	Bromodomain containing protein	0.004	0.0224	0.0161
Onchocerca volvulus		0.015	0.1495	0.5548
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.011	0.011
Echinococcus multilocularis	para nitrobenzyl esterase	0.015	0.1495	0.1495
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0035	0.0035
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0123	0.0123
Schistosoma mansoni	survival motor neuron protein	0.005	0.0342	0.0342
Loa Loa (eye worm)	carboxylesterase	0.0888	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0123	0.0123
Brugia malayi	Carboxylesterase family protein	0.0888	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0196	0.0196
Brugia malayi	Carboxylesterase family protein	0.015	0.1495	0.1441
Entamoeba histolytica	hypothetical protein	0.0037	0.0196	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0888	1	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0196	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0245	0.2592	0.2592
Echinococcus granulosus	acetylcholinesterase	0.0888	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.1495	0.1484
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.015	0.1495	0.1484
Entamoeba histolytica	hypothetical protein	0.0037	0.0196	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.0479	0.0479
Schistosoma mansoni	gliotactin	0.015	0.1495	0.1495
Brugia malayi	Carboxylesterase family protein	0.015	0.1495	0.1441
Echinococcus multilocularis	neuroligin	0.015	0.1495	0.1495
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0216	0.2253	0.2243
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0196	0.0196
Onchocerca volvulus		0.015	0.1495	0.5548
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.015	0.1495	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0253	0.0241
Loa Loa (eye worm)	acetylcholinesterase 1	0.0888	1	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0196	0.5
Onchocerca volvulus		0.005	0.0342	0.0888
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0313	0.0313
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0035	0.0035
Onchocerca volvulus		0.015	0.1495	0.5548
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0123	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0225	0.0212
Schistosoma mansoni	acetylcholinesterase	0.015	0.1495	0.1495
Onchocerca volvulus		0.015	0.1495	0.5548
Trichomonas vaginalis	set domain proteins, putative	0.0246	0.2597	1
Plasmodium vivax	SET domain protein, putative	0.0031	0.0123	0.5
Brugia malayi	Carboxylesterase family protein	0.015	0.1495	0.1441
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.015	0.1495	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.0479	0.0479
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.015	0.1495	0.1495
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0611	0.0599
Loa Loa (eye worm)	hypothetical protein	0.015	0.1495	0.1484
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0313	0.0313
Onchocerca volvulus		0.0246	0.2597	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.1495	0.1484
Schistosoma mansoni	hypothetical protein	0.0037	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0888	1	1
Brugia malayi	hypothetical protein	0.0245	0.2592	0.2544
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0313	0.0313
Brugia malayi	Bromodomain containing protein	0.0078	0.0662	0.0602
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0313	0.0313
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0313	0.0313
Echinococcus multilocularis	acetylcholinesterase	0.0888	1	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.1495	0.1484
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0313	0.0251
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0049	0.0327	0.0327
Loa Loa (eye worm)	hypothetical protein	0.015	0.1495	0.1484
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0313	0.0313
Loa Loa (eye worm)	carboxylesterase	0.015	0.1495	0.1484
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0313	0.0313
Mycobacterium ulcerans	carboxylesterase, LipT	0.015	0.1495	0.5
Brugia malayi	Pre-SET motif family protein	0.0031	0.0123	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0888	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0327	0.0314
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0195	0.0195
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.015	0.1495	0.1495
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.015	0.1495	0.1495
Schistosoma mansoni	hypothetical protein	0.005	0.0342	0.0342
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.0342	0.028
Brugia malayi	Carboxylesterase family protein	0.015	0.1495	0.1441
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0888	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.015	0.1495	0.1495
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0049	0.0327	0.0327
Echinococcus granulosus	histone lysine methyltransferase setb	0.0049	0.0327	0.0327
Echinococcus multilocularis	survival motor neuron protein 1	0.0245	0.2592	0.2592
Schistosoma mansoni	BC026374 protein (S09 family)	0.015	0.1495	0.1495

Activities

No activities found for this compound.

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: CHEMBL1619276

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 1479437