TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 301.383 | Formula: C17H23N3O2
H donors: 1 H acceptors: 3 LogP: 2.22 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: C=CCNC(=O)C(N(C(=O)c1cccnc1)C1CC1)C(C)C
InChi: 1S/C17H23N3O2/c1-4-9-19-16(21)15(12(2)3)20(14-7-8-14)17(22)13-6-5-10-18-11-13/h4-6,10-12,14-15H,1,7-9H2,2-3H3,(H,19,21)
InChiKey: MJKZRXAHEDXTFT-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

No synonyms found for this compound

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
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0348	0.65	0.65
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0199	0.0199
Echinococcus granulosus	histone deacetylase 7	0.0063	0.0994	0.0994
Entamoeba histolytica	hypothetical protein	0.0041	0.0574	0.8915
Echinococcus multilocularis	Niemann Pick C1 protein	0.0218	0.3993	0.3993
Toxoplasma gondii	histone deacetylase HDAC2	0.0019	0.0151	0.1524
Brugia malayi	histone deacetylase 11	0.0019	0.0151	0.0151
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0199	0.0436
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0199	0.0199
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0418	0.0418
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0199	0.0199
Echinococcus granulosus	Protein patched homolog 1	0.0218	0.3993	0.3993
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0632	0.0632
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0787	0.0787
Echinococcus multilocularis	histone deacetylase 6	0.0063	0.0994	0.0994
Echinococcus granulosus	histone deacetylase 8	0.0019	0.0151	0.0151
Toxoplasma gondii	histone deacetylase HDAC4	0.0019	0.0151	0.1524
Schistosoma mansoni	hypothetical protein	0.005	0.0761	0.0761
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0151	0.0151
Brugia malayi	Histone deacetylase family protein	0.0063	0.0994	0.0994
Schistosoma mansoni	histone deacetylase hda2	0.0019	0.0151	0.0151
Schistosoma mansoni	ap endonuclease	0.0021	0.0199	0.0199
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0025	0.0275	0.0275
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0019	0.0151	0.5
Toxoplasma gondii	histone deacetylase HDAC1	0.0063	0.0994	1
Echinococcus granulosus	protein kinase c epsilon type	0.0064	0.1029	0.1029
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0299	0.0653
Schistosoma mansoni	histone deacetylase	0.0019	0.0151	0.0151
Plasmodium vivax	histone deacetylase, putative	0.0063	0.0994	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0199	0.5
Echinococcus multilocularis	serine threonine protein kinase	0.0038	0.0516	0.0516
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0761	0.0761
Trichomonas vaginalis	histone deacetylase, putative	0.0019	0.0151	0.0331
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.016	0.2861	0.2861
Leishmania major	histone deacetylase, putative	0.0063	0.0994	0.0855
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.053	1	1
Schistosoma mansoni	histone deacetylase	0.0019	0.0151	0.0151
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0252	0.2537
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0252	0.0252
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.053	1	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1889	0.1889
Brugia malayi	histone deacetylase 1 (HD1)	0.0019	0.0151	0.0151
Echinococcus multilocularis	protein patched	0.0218	0.3993	0.3993
Leishmania major	histone deacetylase, putative	0.0063	0.0994	0.0855
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0199	0.0199
Echinococcus granulosus	Protein kinase C brain isozyme	0.0045	0.0665	0.0665
Echinococcus multilocularis	histone deacetylase 3	0.0019	0.0151	0.0151
Echinococcus granulosus	histone deacetylase 6	0.0063	0.0994	0.0994
Loa Loa (eye worm)	histone deacetylase 7A	0.0063	0.0994	0.0994
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0249	0.458	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0199	0.3099
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0787	0.0787
Trypanosoma brucei	histone deacetylase 3	0.0063	0.0994	0.0994
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0252	0.0102
Echinococcus multilocularis	histone deacetylase 8	0.0019	0.0151	0.0151
Echinococcus multilocularis	histone deacetylase 6	0.0063	0.0994	0.0994
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0299	0.0653
Schistosoma mansoni	ran	0.0024	0.0252	0.0252
Brugia malayi	CHE-14 protein	0.0218	0.3993	0.3993
Brugia malayi	RNA, U transporter 1	0.0093	0.1577	0.1577
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0199	0.0049
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.053	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.0665	0.0665
Loa Loa (eye worm)	histone deacetylase	0.0063	0.0994	0.0994
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.053	1	1
Brugia malayi	Histone deacetylase 1	0.0019	0.0151	0.0151
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0252	0.0252
Echinococcus multilocularis	histone deacetylase 1	0.0019	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0424	0.0424
Loa Loa (eye worm)	hypothetical protein	0.016	0.2861	0.2861
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0199	0.057
Echinococcus granulosus	histone deacetylase 1	0.0019	0.0151	0.0151
Schistosoma mansoni	histone deacetylase 4 5	0.0063	0.0994	0.0994
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0045	0.0665	0.0665
Echinococcus multilocularis	histone deacetylase 7	0.0063	0.0994	0.0994
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0299	0.0653
Trichomonas vaginalis	histone deacetylase, putative	0.0019	0.0151	0.0331
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0574	0.0574
Echinococcus multilocularis	protein kinase c iota type	0.0019	0.0149	0.0149
Schistosoma mansoni	hypothetical protein	0.0348	0.65	0.65
Trichomonas vaginalis	histone deacetylase, putative	0.0019	0.0151	0.0331
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0418	0.0418
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0199	0.0436
Echinococcus granulosus	protein kinase C gamma type	0.0038	0.0516	0.0516
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.0665	0.0665
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0761	0.0761
Echinococcus multilocularis	protein kinase c epsilon type	0.0064	0.1029	0.1029
Trypanosoma brucei	histone deacetylase, putative	0.0063	0.0994	0.0994
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0249	0.458	1
Echinococcus granulosus	histone deacetylase	0.0063	0.0994	0.0994
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0418	0.4208
Trypanosoma cruzi	histone deacetylase, putative	0.0063	0.0994	0.0855
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0418	0.0418
Plasmodium vivax	histone deacetylase 2, putative	0.0063	0.0994	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0418	0.0418
Echinococcus granulosus	snurportin 1	0.0348	0.65	0.65
Schistosoma mansoni	patched 1	0.0218	0.3993	0.3993
Echinococcus multilocularis	sterol regulatory element binding protein	0.0218	0.3993	0.3993
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0199	0.057
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0019	0.0151	0.0331
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.053	1	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0218	0.3993	0.3993
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0249	0.458	1
Toxoplasma gondii	exonuclease III APE	0.0021	0.0199	0.2007
Toxoplasma gondii	histone deacetylase HDAC5	0.0019	0.0151	0.1524
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0199	0.5
Loa Loa (eye worm)	histone deacetylase 1	0.0019	0.0151	0.0151
Brugia malayi	Histone deacetylase family protein	0.0063	0.0994	0.0994
Echinococcus multilocularis	histone deacetylase 6	0.0063	0.0994	0.0994
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.053	1	1
Entamoeba histolytica	Ran family GTPase	0.0024	0.0252	0.3917
Echinococcus granulosus	GPCR family 2	0.005	0.0761	0.0761
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0055	0.085	0.085
Entamoeba histolytica	hypothetical protein	0.0041	0.0574	0.8915
Entamoeba histolytica	histone deacetylase, putative	0.0019	0.0151	0.2353
Echinococcus multilocularis	GPCR, family 2	0.005	0.0761	0.0761
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0218	0.3993	0.3993
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0299	0.015
Loa Loa (eye worm)	hypothetical protein	0.005	0.0761	0.0761
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0218	0.3993	0.3993
Plasmodium falciparum	importin beta, putative	0.0033	0.0418	0.3166
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0252	0.0252
Brugia malayi	Calcitonin receptor-like protein seb-1	0.016	0.2861	0.2861
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0761	0.0761
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0275	0.0275
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0787	0.0787
Trichomonas vaginalis	ran, putative	0.0024	0.0252	0.0551
Trypanosoma brucei	histone deacetylase 1	0.0019	0.0151	0.0151
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0199	0.0199
Brugia malayi	histone deacetylase 3 (HD3)	0.0019	0.0151	0.0151
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0019	0.0151	0.0331
Trypanosoma brucei	histone deacetylase 2	0.0019	0.0151	0.0151
Schistosoma mansoni	atypical protein kinase C	0.0019	0.0149	0.0149
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.3993	0.8719
Loa Loa (eye worm)	hypothetical protein	0.053	1	1
Schistosoma mansoni	hypothetical protein	0.005	0.0761	0.0761
Trichomonas vaginalis	histone deacetylase, putative	0.0019	0.0151	0.0331
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0787	0.0787
Schistosoma mansoni	hypothetical protein	0.0109	0.1889	0.1889
Echinococcus multilocularis	RNA directed DNA polymerase	0.0025	0.0275	0.0275
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0761	0.0761
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0574	0.0574
Brugia malayi	Protein kinase c protein 2	0.0035	0.0459	0.0459
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0252	0.0227
Entamoeba histolytica	hypothetical protein	0.0041	0.0574	0.8915
Schistosoma mansoni	hypothetical protein	0.005	0.0761	0.0761
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0761	0.0761
Schistosoma mansoni	serine/threonine protein kinase	0.0064	0.1029	0.1029
Echinococcus multilocularis	snurportin 1	0.0348	0.65	0.65
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.053	1	1
Echinococcus multilocularis	protein dispatched 1	0.0218	0.3993	0.3993
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0787	0.0787
Brugia malayi	hypothetical protein	0.0041	0.0574	0.0574
Entamoeba histolytica	hypothetical protein	0.0041	0.0574	0.8915
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0199	0.0049
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0199	0.5
Echinococcus granulosus	protein kinase c iota type	0.0019	0.0149	0.0149
Echinococcus granulosus	histone deacetylase 6	0.0063	0.0994	0.0994
Schistosoma mansoni	importin beta-1	0.0033	0.0418	0.0418
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0574	0.0574
Echinococcus granulosus	histone deacetylase 6	0.0063	0.0994	0.0994
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0632	0.0632
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0787	0.0787
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0249	0.458	1
Plasmodium falciparum	histone deacetylase 2	0.0063	0.0994	1
Toxoplasma gondii	histone deacetylase HDAC3	0.0019	0.0151	0.1524
Trichomonas vaginalis	histone deacetylase, putative	0.0019	0.0151	0.0331
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0787	0.0787
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0787	0.0787
Schistosoma mansoni	hypothetical protein	0.005	0.0761	0.0761
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0787	0.0787
Schistosoma mansoni	histone deacetylase 4 5	0.0063	0.0994	0.0994
Trypanosoma cruzi	histone deacetylase, putative	0.0063	0.0994	0.0855
Brugia malayi	Importin beta-1 subunit	0.0033	0.0418	0.0418
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0299	0.015
Schistosoma mansoni	hypothetical protein	0.0041	0.0574	0.0574
Brugia malayi	latrophilin 2 splice variant baaae	0.0109	0.1889	0.1889
Trichomonas vaginalis	histone deacetylase, putative	0.0019	0.0151	0.0331
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0027	0.031	0.031
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.0252	0.1195
Entamoeba histolytica	hypothetical protein	0.0026	0.0299	0.4648
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0064	0.1029	0.1029
Schistosoma mansoni	ap endonuclease	0.0021	0.0199	0.0199
Schistosoma mansoni	histone deacetylase 1 2 3	0.0019	0.0151	0.0151
Echinococcus multilocularis	histone deacetylase	0.0063	0.0994	0.0994
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0199	0.0108
Echinococcus granulosus	Niemann Pick C1 protein	0.0218	0.3993	0.3993
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0418	0.0418
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0019	0.0151	0.0331
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0252	0.0102
Echinococcus granulosus	histone deacetylase 3	0.0019	0.0151	0.0151
Leishmania major	GTP-binding protein, putative	0.0024	0.0252	0.0102
Plasmodium falciparum	histone deacetylase, putative	0.0063	0.0994	1
Trypanosoma brucei	histone deacetylase 4	0.0063	0.0994	0.0994
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.053	1	1
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.0252	0.1195
Schistosoma mansoni	histone deacetylase hda2	0.0063	0.0994	0.0994
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0418	0.3166
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0761	0.0761
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0761	0.0761
Loa Loa (eye worm)	histone deacetylase 3	0.0019	0.0151	0.0151
Brugia malayi	protein kinase C II.	0.0064	0.1029	0.1029
Schistosoma mansoni	ran	0.0024	0.0252	0.0252
Echinococcus granulosus	serine:threonine protein kinase N2	0.0044	0.0644	0.0644
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.016	0.2861	0.2861
Echinococcus granulosus	sterol regulatory element binding protein	0.0218	0.3993	0.3993
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0044	0.0644	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0025	0.0275	0.0275
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0199	0.0049
Loa Loa (eye worm)	histone deacetylase 11	0.0019	0.0151	0.0151
Trypanosoma cruzi	histone deacetylase, putative	0.0063	0.0994	0.0855
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0252	0.0252

Activities

Activity type	Activity value	Assay description	Source	Reference
GI (functional)	= 57 %	Antimycobacterial activity against Mycobacterium tuberculosis at 12.5 ug/ml	ChEMBL.	17720495
GI (functional)	= 57 %	Antimycobacterial activity against Mycobacterium tuberculosis at 12.5 ug/ml	ChEMBL.	17720495

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 460143