TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 349.469 | Formula: C22H27N3O
H donors: 0 H acceptors: 2 LogP: 6 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCc1nnn(c1)CC1Oc2c(C1)c1ccccc1cc2
InChi: 1S/C22H27N3O/c1-2-3-4-5-6-10-18-15-25(24-23-18)16-19-14-21-20-11-8-7-9-17(20)12-13-22(21)26-19/h7-9,11-13,15,19H,2-6,10,14,16H2,1H3
InChiKey: IIUZUJKWXKTALE-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
Onchocerca volvulus		0.0032	0.0749	0.098
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0101	0.2858	0.2858
Schistosoma mansoni	hypothetical protein	0.0201	0.587	0.587
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0556	0.0728
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0295	0.0295
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2858	0.3739
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0101	0.2858	0.7572
Trichomonas vaginalis	set domain proteins, putative	0.0259	0.7645	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0132	0.3775	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0771	0.0771
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0771	0.0771
Onchocerca volvulus		0.0033	0.0771	0.1009
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.1304	0.1706
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0057	0.1514	0.1828
Leishmania major	GTP-binding protein, putative	0.0023	0.0485	0.1284
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0485	0.0485
Schistosoma mansoni	hypothetical protein	0.0018	0.0333	0.0333
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0556	0.0728
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0485	0.0586
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0103	0.2901	0.3504
Giardia lamblia	Kinase, PLK	0.0101	0.2858	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0015	0.0248	0.0248
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0295	0.0295
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0132	0.3775	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0248	0.0248
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0295	0.0295
Schistosoma mansoni	survival motor neuron protein	0.0057	0.1514	0.1514
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0738	0.0738
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0738	0.258
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0485	0.0485
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0295	0.1032
Echinococcus granulosus	survival motor neuron protein 1	0.028	0.8279	0.8279
Echinococcus granulosus	expressed protein	0.0036	0.0869	0.0869
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0295	0.0356
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0295	0.0295
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0036	0.0869	0.0869
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0015	0.0248	0.0248
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.2901	0.2901
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0017	0.0295	0.0782
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.2901	0.2901
Echinococcus multilocularis	geminin	0.0201	0.587	0.587
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.2901	0.2901
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0035	0.0843	0.2949
Echinococcus multilocularis	lamin dm0	0.0032	0.0749	0.0749
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0295	0.1032
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0132	0.3775	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0333	0.0333
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.1526	0.1843
Brugia malayi	RNA, U transporter 1	0.009	0.2503	0.3023
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0485	0.4288
Plasmodium vivax	SET domain protein, putative	0.0033	0.0771	1
Onchocerca volvulus		0.0259	0.7645	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0035	0.0843	0.2949
Echinococcus granulosus	intermediate filament protein	0.0032	0.0749	0.0749
Echinococcus multilocularis	musashi	0.0032	0.0749	0.0749
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0738	0.9291
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0295	0.0295
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0333	0.0333
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0295	0.0295
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2858	0.3739
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0101	0.2858	0.3739
Loa Loa (eye worm)	hypothetical protein	0.0015	0.023	0.023
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0485	0.1696
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.2901	0.2901
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0.0295	0.1032
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0749	0.0749
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0732	0.0732
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0132	0.3775	0.3775
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0485	0.1696
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0735	0.0735
Toxoplasma gondii	PPIC-type PPIASE domain-containing protein	0.0011	0.0111	0.0294
Trypanosoma brucei	polo-like protein kinase	0.0101	0.2858	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0749	0.0749
Schistosoma mansoni	importin beta-1	0.0032	0.0738	0.0738
Trichomonas vaginalis	ran, putative	0.0023	0.0485	0.0634
Schistosoma mansoni	lamin	0.0032	0.0749	0.0749
Entamoeba histolytica	hypothetical protein	0.0026	0.0556	0.1947
Brugia malayi	hypothetical protein	0.028	0.8279	1
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2858	0.3739
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0132	0.3775	0.3775
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0771	0.0771
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0869	0.1136
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0011	0.0111	0.0389
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.2901	0.2901
Loa Loa (eye worm)	hypothetical protein	0.0015	0.023	0.023
Plasmodium falciparum	importin beta, putative	0.0032	0.0738	1
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0738	0.0738
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0295	0.0295
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2858	0.3739
Schistosoma mansoni	intermediate filament proteins	0.0032	0.0749	0.0749
Schistosoma mansoni	hypothetical protein	0.0018	0.0333	0.0333
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0295	0.0782
Echinococcus granulosus	lamin	0.0032	0.0749	0.0749
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0485	0.1696
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0485	0.0485
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0485	0.1696
Trichomonas vaginalis	rotamase, putative	0.0036	0.0869	0.1136
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.1304	0.1706
Schistosoma mansoni	hypothetical protein	0.0039	0.0974	0.0974
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0295	0.0356
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.2901	0.2901
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.2901	0.2901
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.1526	0.1526
Echinococcus granulosus	GPCR family 2	0.0018	0.0333	0.0333
Schistosoma mansoni	lamin	0.0032	0.0749	0.0749
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2858	0.3739
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0738	0.0738
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0556	0.1474
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0771	0.0771
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0132	0.3775	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0333	0.0333
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0485	0.3984
Schistosoma mansoni	aldehyde dehydrogenase	0.0132	0.3775	0.3775
Schistosoma mansoni	rotamase	0.0036	0.0869	0.0869
Schistosoma mansoni	kinase	0.0052	0.1345	0.1345
Trypanosoma cruzi	polo-like protein kinase, putative	0.0101	0.2858	1
Schistosoma mansoni	hypothetical protein	0.0201	0.587	0.587
Trichomonas vaginalis	rotamase, putative	0.0035	0.0843	0.1103
Wolbachia endosymbiont of Brugia malayi	parvulin-like peptidyl-prolyl isomerase, PPID	0.0011	0.0111	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1526	0.1526
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0228	0.669	0.669
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0132	0.3775	1
Loa Loa (eye worm)	hypothetical protein	0.028	0.8279	0.8279
Schistosoma mansoni	hypothetical protein	0.0057	0.1514	0.1514
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0295	0.0782
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0333	0.0333
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0771	0.0771
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0101	0.2858	0.2858
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0333	0.0402
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	0.0011	0.0111	0.0294
Echinococcus multilocularis	expressed protein	0.0036	0.0869	0.0869
Schistosoma mansoni	hypothetical protein	0.0018	0.0333	0.0333
Schistosoma mansoni	serine/threonine protein kinase	0.0101	0.2858	0.2858
Schistosoma mansoni	ran	0.0023	0.0485	0.0485
Brugia malayi	Importin beta-1 subunit	0.0032	0.0738	0.0891
Toxoplasma gondii	aldehyde dehydrogenase	0.0132	0.3775	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0011	0.0111	0.0389
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0299	0.0299
Schistosoma mansoni	aldehyde dehydrogenase	0.0132	0.3775	0.3775
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0035	0.0843	0.2233
Brugia malayi	Pre-SET motif family protein	0.0033	0.0771	0.0932
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0738	0.258
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0556	0.0728
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0295	0.0295
Onchocerca volvulus		0.0032	0.0749	0.098
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0035	0.0843	0.2949
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0485	0.1284
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0333	0.0333
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0299	0.0362
Echinococcus granulosus	lamin dm0	0.0032	0.0749	0.0749
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0295	0.0782
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0771	0.0771
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0974	0.1176
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0035	0.0843	0.2949
Schistosoma mansoni	ran	0.0023	0.0485	0.0485
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0101	0.2858	1
Entamoeba histolytica	Ran family GTPase	0.0023	0.0485	0.1696
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2858	0.3739
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0749	0.0905
Echinococcus multilocularis	lamin	0.0032	0.0749	0.0749
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0771	0.0771
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0333	0.0402
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0.0295	0.1032
Onchocerca volvulus		0.0057	0.1514	0.198
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.1526	0.1843
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0036	0.0869	0.1049
Trichomonas vaginalis	CAMK family protein kinase	0.0101	0.2858	0.3739
Toxoplasma gondii	peptidylprolyl isomerase	0.0035	0.0843	0.2233
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0771	0.0771
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0749	0.0749
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0974	0.0974
Trypanosoma cruzi	polo-like protein kinase, putative	0.0101	0.2858	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0738	0.1954
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0771	0.2043
Echinococcus multilocularis	survival motor neuron protein 1	0.028	0.8279	0.8279
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0101	0.2858	0.2858
Echinococcus granulosus	geminin	0.0201	0.587	0.587
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0103	0.2901	0.2901
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0333	0.0333
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0556	0.1947
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0333	0.0333
Brugia malayi	Pre-SET motif family protein	0.0228	0.669	0.8081
Brugia malayi	intermediate filament protein	0.0032	0.0749	0.0905
Brugia malayi	serine/threonine-protein kinase plk-2	0.0101	0.2858	0.3452
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0011	0.0111	0.0389
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0333	0.0333

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: CHEMBL575876

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 1178738