TDR Targets

Basic information

Technical information

TDR Targets ID: 863776
Name: N-[3-[ethyl-(3-methylphenyl)amino]propyl]-2-p yridin-3-ylquinoline-4-carboxamide
MW: 424.537 | Formula: C27H28N4O
H donors: 1 H acceptors: 3 LogP: 4.97 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(c1cccc(c1)C)CCCNC(=O)c1cc(nc2c1cccc2)c1cccnc1
InChi: 1S/C27H28N4O/c1-3-31(22-11-6-9-20(2)17-22)16-8-15-29-27(32)24-18-26(21-10-7-14-28-19-21)30-25-13-5-4-12-23(24)25/h4-7,9-14,17-19H,3,8,15-16H2,1-2H3,(H,29,32)
InChiKey: DLCJOQJVLKOELZ-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

N-[3-[ethyl-(3-methylphenyl)amino]propyl]-2-(3-pyridyl)quinoline-4-carboxamide
N-[3-[ethyl-(3-methylphenyl)amino]propyl]-2-(3-pyridyl)-4-quinolinecarboxamide
N-[3-[ethyl-(3-methylphenyl)amino]propyl]-2-(3-pyridyl)cinchoninamide
N-[3-[ethyl-(3-methylphenyl)amino]propyl]-2-pyridin-3-yl-quinoline-4-carboxamide
EU-0097088

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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.2495	0.4217	0.4217
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.1947	0.2563	1
Onchocerca volvulus		0.1947	0.2563	1
Loa Loa (eye worm)	hypothetical protein	0.1947	0.2563	0.1902
Schistosoma mansoni	cathepsin F (C01 family)	0.1369	0.0815	0.0815
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Trypanosoma brucei	cysteine peptidase C (CPC)	0.2495	0.4217	0.4323
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Brugia malayi	Cathepsin L-like precursor	0.1369	0.0815	0.0815
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Onchocerca volvulus		0.1947	0.2563	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Echinococcus multilocularis	cathepsin b	0.4409	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Entamoeba histolytica	cysteine proteinase, putative	0.1947	0.2563	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Loa Loa (eye worm)	fibroinase	0.1947	0.2563	0.1902
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.1947	0.2563	1
Onchocerca volvulus		0.1947	0.2563	1
Leishmania major	cathepsin L-like protease	0.4328	0.9755	1
Brugia malayi	Cathepsin L-like precursor	0.1369	0.0815	0.0815
Leishmania major	cathepsin L-like protease	0.4328	0.9755	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Onchocerca volvulus	Cathepsin L homolog	0.1947	0.2563	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.1369	0.0815	0.0815
Entamoeba histolytica	cysteine proteinase, putative	0.1369	0.0815	0.3182
Trypanosoma cruzi	cysteine peptidase, putative	0.1947	0.2563	0.2563
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1947	0.2563	0.6076
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Onchocerca volvulus		0.1947	0.2563	1
Echinococcus multilocularis	cathepsin b	0.4409	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.3749	0.8008	0.8008
Trypanosoma cruzi	major cysteine proteinase, putative	0.2901	0.5445	0.5445
Echinococcus granulosus	cathepsin l1	0.1947	0.2563	0.2563
Echinococcus granulosus	cathepsin L cysteine proteinase	0.1947	0.2563	0.2563
Echinococcus granulosus	cathepsin b	0.4409	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1947	0.2563	0.6076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1369	0.0815	0.1933
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1947	0.2563	0.6076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4409	1	1
Brugia malayi	Cathepsin L-like precursor	0.1947	0.2563	0.2563
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Onchocerca volvulus		0.1947	0.2563	1
Plasmodium vivax	vivapain-2	0.1947	0.2563	1
Brugia malayi	Papain family cysteine protease containing protein	0.1947	0.2563	0.2563
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1947	0.2563	0.6076
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1947	0.2563	0.2563
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2495	0.4217	0.4217
Echinococcus granulosus	cathepsin l1	0.1369	0.0815	0.0815
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1947	0.2563	0.6076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Onchocerca volvulus		0.1947	0.2563	1
Brugia malayi	cathepsin L-like precursor	0.1369	0.0815	0.0815
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.1947	0.2563	0.1902
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.1947	0.2563	0.1902
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1947	0.2563	0.6076
Giardia lamblia	Cathepsin B precursor	0.2495	0.4217	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.1947	0.2563	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4409	1	1
Plasmodium vivax	vivapain-2	0.1947	0.2563	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.1947	0.2563	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1947	0.2563	0.6076
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4409	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Schistosoma mansoni	cathepsin F (C01 family)	0.1947	0.2563	0.2563
Brugia malayi	Cathepsin L-like precursor	0.1947	0.2563	0.2563
Echinococcus multilocularis	cathepsin L cysteine protease	0.1947	0.2563	0.2563
Toxoplasma gondii	cathepsin B	0.2495	0.4217	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Echinococcus granulosus	cathepsin l cysteine peptidase	0.1947	0.2563	0.2563
Loa Loa (eye worm)	cathepsin B	0.2495	0.4217	0.3704
Loa Loa (eye worm)	hypothetical protein	0.4409	1	1
Brugia malayi	Cathepsin L-like precursor	0.1947	0.2563	0.2563
Brugia malayi	Cathepsin L-like precursor	0.1947	0.2563	0.2563
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Trypanosoma cruzi	cruzipain precursor, putative	0.4328	0.9755	0.9755
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.4409	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1947	0.2563	0.6076
Onchocerca volvulus		0.1947	0.2563	1
Loa Loa (eye worm)	ctsf protein	0.1947	0.2563	0.1902
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1369	0.0815	0.1933
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1947	0.2563	0.2563
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.2495	0.4217	1
Trypanosoma cruzi	cysteine peptidase, putative	0.4328	0.9755	0.9755
Entamoeba histolytica	cysteine protease, putative	0.1947	0.2563	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1947	0.2563	0.6076
Leishmania major	cathepsin L-like protease	0.4328	0.9755	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Giardia lamblia	Cathepsin B precursor	0.2495	0.4217	0.5
Echinococcus multilocularis	cysteine protease	0.1947	0.2563	0.2563
Brugia malayi	Cathepsin L-like precursor	0.1947	0.2563	0.2563
Echinococcus multilocularis	cathepsin L cysteine protease	0.1947	0.2563	0.2563
Echinococcus granulosus	cathepsin b	0.4409	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.4409	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.1947	0.2563	0.2563
Onchocerca volvulus	Cathepsin F homolog	0.1947	0.2563	1
Echinococcus multilocularis	cysteine protease	0.1947	0.2563	0.2563
Brugia malayi	Cathepsin L-like precursor	0.1947	0.2563	0.2563
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Onchocerca volvulus	Cathepsin L homolog	0.1947	0.2563	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1947	0.2563	0.6076
Trypanosoma cruzi	cysteine peptidase, putative	0.4328	0.9755	0.9755
Trypanosoma cruzi	cysteine peptidase, putative	0.4328	0.9755	0.9755
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.2495	0.4217	0.2301
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1947	0.2563	0.6076
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1947	0.2563	0.6076
Loa Loa (eye worm)	cysteine protease	0.1947	0.2563	0.1902
Giardia lamblia	Cathepsin B precursor	0.2495	0.4217	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4328	0.9755	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 863776