TDR Targets

Basic information

Technical information

TDR Targets ID: 781994
Name: 2-[(3,5-dimethylphenyl)amino]-N-(3-propan-2-y loxypropyl)quinoline-4-carboxamide
MW: 391.506 | Formula: C24H29N3O2
H donors: 2 H acceptors: 2 LogP: 5.08 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(OCCCNC(=O)c1cc(Nc2cc(C)cc(c2)C)nc2c1cccc2)C
InChi: 1S/C24H29N3O2/c1-16(2)29-11-7-10-25-24(28)21-15-23(27-22-9-6-5-8-20(21)22)26-19-13-17(3)12-18(4)14-19/h5-6,8-9,12-16H,7,10-11H2,1-4H3,(H,25,28)(H,26,27)
InChiKey: VDMCUZCPJPKWGO-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-[(3,5-dimethylphenyl)amino]-N-(3-isopropoxypropyl)quinoline-4-carboxamide
2-[(3,5-dimethylphenyl)amino]-N-(3-isopropoxypropyl)-4-quinolinecarboxamide
2-[(3,5-dimethylphenyl)amino]-N-(3-isopropoxypropyl)cinchoninamide
EU-0092778

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
Brugia malayi	Carboxylesterase family protein	0.0686	0.8698	1
Brugia malayi	hypothetical protein	0.0116	0.139	0.1598
Schistosoma mansoni	acetylcholinesterase	0.0116	0.139	0.1598
Plasmodium vivax	aspartyl protease, putative	0.002	0.0159	0.4209
Plasmodium vivax	aspartyl protease, putative	0.002	0.0159	0.4209
Brugia malayi	aspartic protease BmAsp-2, identical	0.002	0.0159	0.0183
Onchocerca volvulus		0.002	0.0159	0.1143
Echinococcus granulosus	neuroligin	0.0116	0.139	0.1598
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0002	0.0002
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.0648	0.5493
Schistosoma mansoni	ap endonuclease	0.0037	0.0377	0.0434
Onchocerca volvulus		0.0116	0.139	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0037	0.0377	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0101	0.0116
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0159	0.0183
Echinococcus granulosus	BC026374 protein S09 family	0.0116	0.139	0.1598
Echinococcus granulosus	dnaJ subfamily B	0.0436	0.5494	0.6316
Loa Loa (eye worm)	hypothetical protein	0.0116	0.139	0.1598
Loa Loa (eye worm)	hypothetical protein	0.0686	0.8698	1
Toxoplasma gondii	melibiase subfamily protein	0.0099	0.118	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0116	0.139	0.139
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0159	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0116	0.139	0.1598
Plasmodium falciparum	plasmepsin I	0.002	0.0159	0.4209
Schistosoma mansoni	cpg binding protein	0.0032	0.0319	0.0367
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.002	0.0159	0.0183
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0809	0.0809
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0037	0.0377	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0116	0.139	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0037	0.0377	0.4664
Echinococcus granulosus	acetylcholinesterase	0.0686	0.8698	1
Plasmodium vivax	aspartyl protease, putative	0.002	0.0159	0.4209
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0159	0.0183
Echinococcus multilocularis	survival motor neuron protein 1	0.0252	0.3136	0.3136
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0101	0.0116
Schistosoma mansoni	hypothetical protein	0.0015	0.0101	0.0116
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0116	0.139	0.1598
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0116	0.139	0.139
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.118	0.1356
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0525	0.0604
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0002	0.0002
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0116	0.139	1
Plasmodium falciparum	plasmepsin IX	0.002	0.0159	0.4209
Loa Loa (eye worm)	hypothetical protein	0.002	0.0159	0.0183
Onchocerca volvulus		0.0116	0.139	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0116	0.139	0.139
Onchocerca volvulus		0.0031	0.0297	0.2136
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0297	0.0341
Echinococcus granulosus	geminin	0.0186	0.2292	0.2636
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0026	0.0026
Echinococcus multilocularis	acetylcholinesterase	0.0686	0.8698	0.8698
Schistosoma mansoni	hypothetical protein	0.0186	0.2292	0.2636
Brugia malayi	aspartic protease BmAsp-1, identical	0.002	0.0159	0.0183
Echinococcus granulosus	acetylcholinesterase	0.0686	0.8698	1
Brugia malayi	hypothetical protein	0.0252	0.3136	0.3605
Echinococcus multilocularis	cpg binding protein	0.0032	0.0319	0.0319
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0037	0.0377	0.0377
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0037	0.0377	0.0434
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0159	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0329	0.0378
Loa Loa (eye worm)	carboxylesterase	0.0116	0.139	0.1598
Echinococcus multilocularis	dnaJ subfamily B	0.0436	0.5494	0.5494
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0116	0.139	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0116	0.139	0.1598
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0564	0.0648
Toxoplasma gondii	Alpha-galactosidase	0.0014	0.0085	0.0721
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0377	1
Schistosoma mansoni	hypothetical protein	0.0071	0.0809	0.093
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0755	0.0868
Schistosoma mansoni	hypothetical protein	0.0186	0.2292	0.2636
Schistosoma mansoni	hypothetical protein	0.0051	0.0564	0.0648
Toxoplasma gondii	aspartyl protease	0.002	0.0159	0.1347
Loa Loa (eye worm)	hypothetical protein	0.002	0.0159	0.0183
Brugia malayi	Melibiase family protein	0.0066	0.0755	0.0868
Loa Loa (eye worm)	hypothetical protein	0.0252	0.3136	0.3605
Plasmodium falciparum	plasmepsin VIII, putative	0.002	0.0159	0.4209
Plasmodium falciparum	plasmepsin VI	0.002	0.0159	0.4209
Schistosoma mansoni	hypothetical protein	0.0436	0.5494	0.6316
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0002	0.0002
Plasmodium falciparum	plasmepsin V	0.002	0.0159	0.4209
Brugia malayi	Carboxylesterase family protein	0.0686	0.8698	1
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0099	0.118	0.118
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0099	0.118	0.1356
Plasmodium falciparum	plasmepsin II	0.002	0.0159	0.4209
Loa Loa (eye worm)	hypothetical protein	0.0116	0.139	0.1598
Echinococcus multilocularis	geminin	0.0186	0.2292	0.2292
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.002	0.0159	0.1347
Plasmodium vivax	aspartyl proteinase, putative	0.002	0.0159	0.4209
Schistosoma mansoni	hypothetical protein	0.0015	0.0101	0.0116
Schistosoma mansoni	hypothetical protein	0.0033	0.0329	0.0378
Echinococcus multilocularis	carboxylesterase 5A	0.0686	0.8698	0.8698
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0159	0.0183
Brugia malayi	exodeoxyribonuclease III family protein	0.0037	0.0377	0.0434
Onchocerca volvulus		0.0116	0.139	1
Echinococcus granulosus	carboxylesterase 5A	0.0686	0.8698	1
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0099	0.118	0.118
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0809	0.093
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0159	0.0183
Brugia malayi	Carboxylesterase family protein	0.0116	0.139	0.1598
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.002	0.0159	0.0183
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0101	0.0101
Plasmodium vivax	aspartyl proteinase, putative	0.002	0.0159	0.4209
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0026	0.003
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0014	0.0085	0.0098
Schistosoma mansoni	cathepsin D (A01 family)	0.002	0.0159	0.0183
Loa Loa (eye worm)	acetylcholinesterase 1	0.0686	0.8698	1
Toxoplasma gondii	exonuclease III APE	0.0037	0.0377	0.32
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0159	0.0183
Schistosoma mansoni	gliotactin	0.0116	0.139	0.1598
Loa Loa (eye worm)	hypothetical protein	0.002	0.0159	0.0183
Echinococcus multilocularis	neuroligin	0.0116	0.139	0.139
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0037	0.0377	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0116	0.139	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0116	0.139	0.1598
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0809	0.093
Schistosoma mansoni	BC026374 protein (S09 family)	0.0116	0.139	0.1598
Loa Loa (eye worm)	hypothetical protein	0.0686	0.8698	1
Loa Loa (eye worm)	carboxylesterase	0.0686	0.8698	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0525	0.0604
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0377	0.2715
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0037	0.0377	1
Brugia malayi	hypothetical protein	0.002	0.0159	0.0183
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.0737	0.0847
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0377	1
Onchocerca volvulus		0.002	0.0159	0.1143
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0116	0.139	0.1598
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0066	0.0755	0.543
Onchocerca volvulus		0.0116	0.139	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0101	0.0116
Schistosoma mansoni	cpg binding protein	0.0031	0.0297	0.0341
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0377	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0037	0.0377	0.2715
Schistosoma mansoni	cathepsin D (A01 family)	0.002	0.0159	0.0183
Plasmodium falciparum	plasmepsin III	0.002	0.0159	0.4209
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0159	0.0183
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0101	0.0116
Brugia malayi	Eukaryotic aspartyl protease family protein	0.002	0.0159	0.0183
Echinococcus granulosus	GPCR family 2	0.0015	0.0101	0.0116
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0101	0.0116
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0066	0.0755	0.0868
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0116	0.139	0.1598
Toxoplasma gondii	aspartyl protease ASP1	0.002	0.0159	0.1347
Schistosoma mansoni	cpg binding protein	0.0032	0.0319	0.0367
Entamoeba histolytica	hypothetical protein	0.0071	0.0809	1
Plasmodium falciparum	plasmepsin VII	0.002	0.0159	0.4209
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0564	0.0648
Mycobacterium ulcerans	carboxylesterase, LipT	0.0116	0.139	1
Echinococcus multilocularis	acetylcholinesterase	0.0686	0.8698	0.8698
Entamoeba histolytica	hypothetical protein	0.0071	0.0809	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0101	0.0101
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0101	0.0116
Plasmodium vivax	plasmepsin V, putative	0.002	0.0159	0.4209
Loa Loa (eye worm)	carboxylesterase	0.0116	0.139	0.1598
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.118	0.1356
Schistosoma mansoni	hypothetical protein	0.0015	0.0101	0.0116
Plasmodium vivax	plasmepsin IV, putative	0.002	0.0159	0.4209
Schistosoma mansoni	hypothetical protein	0.0015	0.0101	0.0116
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0297	0.0341
Plasmodium falciparum	plasmepsin IV	0.002	0.0159	0.4209
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0686	0.8698	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0377	1
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.002	0.0159	0.0159
Echinococcus granulosus	survival motor neuron protein 1	0.0252	0.3136	0.3605
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.002	0.0159	0.1347
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0037	0.0377	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.139	0.1598
Toxoplasma gondii	aspartyl protease ASP3	0.002	0.0159	0.1347
Brugia malayi	Carboxylesterase family protein	0.0116	0.139	0.1598
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0002	0.0002
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0159	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0525	0.0604
Echinococcus granulosus	cpg binding protein	0.0032	0.0319	0.0367
Brugia malayi	Carboxylesterase family protein	0.0116	0.139	0.1598
Loa Loa (eye worm)	hypothetical protein	0.0116	0.139	0.1598
Onchocerca volvulus		0.0051	0.0564	0.4054
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0116	0.139	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0066	0.0755	0.0868
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0525	0.0604
Entamoeba histolytica	hypothetical protein	0.0071	0.0809	1
Brugia malayi	Carboxylesterase family protein	0.0116	0.139	0.1598
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.002	0.0159	0.1143
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0329	0.0378
Brugia malayi	hypothetical protein	0.0071	0.0809	0.093
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0037	0.0377	0.0434
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0377	0.2715
Onchocerca volvulus		0.0116	0.139	1
Entamoeba histolytica	hypothetical protein	0.0071	0.0809	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0024	0.0028
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0002	0.0002
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.118	0.1356
Schistosoma mansoni	memapsin-2 (A01 family)	0.0494	0.6238	0.7172
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0099	0.118	0.1356
Brugia malayi	hypothetical protein	0.002	0.0159	0.0183
Loa Loa (eye worm)	aspartyl protease 6	0.002	0.0159	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0116	0.139	0.1598
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0116	0.139	0.1598
Plasmodium falciparum	plasmepsin X	0.002	0.0159	0.4209
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0026	0.003
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0116	0.139	0.1598
Schistosoma mansoni	ap endonuclease	0.0037	0.0377	0.0434
Brugia malayi	Pepsin A precursor	0.002	0.0159	0.0183
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.002	0.0159	0.0183

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 781994