TDR Targets

Basic information

Technical information

TDR Targets ID: 1611141
Name: 2-chloro-N,N-dimethyl-4-(2-quinolin-4-ylethen yl)aniline
MW: 308.805 | Formula: C19H17ClN2
H donors: 0 H acceptors: 1 LogP: 5.21 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1ccc(cc1Cl)/C=C/c1ccnc2c1cccc2)C
InChi: 1S/C19H17ClN2/c1-22(2)19-10-8-14(13-17(19)20)7-9-15-11-12-21-18-6-4-3-5-16(15)18/h3-13H,1-2H3/b9-7+
InChiKey: ODDJSAMUDSUEPB-VQHVLOKHSA-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-chloro-N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
2-chloro-N,N-dimethyl-4-[2-(4-quinolyl)vinyl]aniline
2-chloro-N,N-dimethyl-4-[(E)-2-(4-quinolyl)vinyl]aniline
[2-chloro-4-[(E)-2-(4-quinolyl)vinyl]phenyl]-dimethyl-amine
[2-chloro-4-[2-(4-quinolyl)vinyl]phenyl]-dimethyl-amine
NSC408397

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G	Starlite/ChEMBL	No references

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
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0255	0.0256
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.055	0.289	1
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.055	0.289	0.289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0109	0.6922
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0557	0.2927	0.4163
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0035	0.011	0.0379
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0044	0.0158	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0158	0.0159
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0109	0.6922
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0182	0.0183
Schistosoma mansoni	serine/threonine protein kinase	0.0557	0.2927	0.2927
Schistosoma mansoni	hypothetical protein	0.055	0.289	0.289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0048	0.3066
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0255	0.0363
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.008	0.5047
Echinococcus granulosus	tumor protein p63	0.0331	0.1708	0.1715
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0049	0.3078
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.0158	0.0159
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0049	0.3078
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0097	0.6145
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0255	0.0255
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0109	0.6922
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.1859	0.9964	1
Echinococcus multilocularis	microtubule associated protein 2	0.0676	0.3572	0.5082
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0557	0.2927	0.4163
Schistosoma mansoni	microtubule-associated protein tau	0.0676	0.3572	0.3572
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0035	0.011	0.6934
Schistosoma mansoni	serine/threonine protein kinase	0.0557	0.2927	0.2927
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0097	0.6145
Brugia malayi	Temporarily assigned gene name protein 59	0.055	0.289	0.289
Loa Loa (eye worm)	hypothetical protein	0.055	0.289	0.2901
Loa Loa (eye worm)	hypothetical protein	0.1859	0.9964	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0552	0.0554
Schistosoma mansoni	vam6/vps39 related	0.055	0.289	0.289
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0158	0.0158
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0255	0.0255
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0557	0.2927	0.2937
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0062	0.3945
Echinococcus multilocularis	tumor protein p63	0.0331	0.1708	0.243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0048	0.3066
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.055	0.289	0.289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0158	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0097	0.6145
Echinococcus granulosus	microtubule associated protein 2	0.0676	0.3572	0.3585
Loa Loa (eye worm)	hypothetical protein	0.055	0.289	0.2901
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.055	0.289	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0123	0.78
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.055	0.289	0.4112
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0255	0.0256
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0062	0.3945
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0049	0.3078
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0097	0.6145
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.0158	1
Loa Loa (eye worm)	hypothetical protein	0.055	0.289	0.2901
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.0557	0.2927	0.2937
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0062	0.3945
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.0158	0.0547
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0255	0.0256
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0255	0.0255
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0033	0.0113
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0182	0.0182
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.0158	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.0158	0.0158
Onchocerca volvulus		0.0182	0.0906	0.2673
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0044	0.0158	0.5
Onchocerca volvulus		0.055	0.289	1
Echinococcus granulosus	Vam6:Vps39 protein	0.055	0.289	0.2901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0048	0.3066
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.0158	0.0547
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0552	0.0554
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0109	0.6922
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.1316	0.703	0.7056
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.0158	0.0225
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0557	0.2927	0.4163
Schistosoma mansoni	protein kinase	0.0557	0.2927	0.2927
Brugia malayi	Protein kinase domain containing protein	0.0557	0.2927	0.2927
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0109	0.6922
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.055	0.289	1
Brugia malayi	TAR-binding protein	0.0062	0.0255	0.0255
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0097	0.6145
Brugia malayi	MH2 domain containing protein	0.0117	0.0552	0.0552
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0158	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0061	0.3855
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0557	0.2927	0.2937
Trypanosoma cruzi	target of rapamycin kinase 3	0.0035	0.011	0.0379
Schistosoma mansoni	protein kinase	0.1316	0.703	0.703
Giardia lamblia	GTOR	0.0044	0.0158	0.5
Brugia malayi	RNA binding protein	0.0062	0.0255	0.0255
Brugia malayi	hypothetical protein	0.055	0.289	0.289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0075	0.4722
Echinococcus multilocularis		0.1316	0.703	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0061	0.3855
Brugia malayi	hypothetical protein	0.0182	0.0906	0.0906
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.0158	0.0547
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0097	0.6145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0049	0.3078
Schistosoma mansoni	protein kinase	0.1866	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0255	0.0255
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.055	0.289	0.2901
Schistosoma mansoni	rap gtpase-activating protein	0.055	0.289	0.289
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.0097	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0255	0.0255
Echinococcus granulosus	protein kinase	0.1316	0.703	0.7056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0158	1
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0557	0.2927	0.2937
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0906	0.0909
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0255	0.0256
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.0158	0.0547
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0255	0.0255
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0097	0.6145
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0018	0.0019	0.0066

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	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: CHEMBL1973316

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 1611141