TDR Targets

Basic information

Technical information

TDR Targets ID: 621667
Name: T0513-3784
MW: 343.422 | Formula: C22H21N3O
H donors: 2 H acceptors: 1 LogP: 4.38 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)NC(c1c(C)[nH]c2c1cccc2)c1ccccn1
InChi: 1S/C22H21N3O/c1-15-21(18-7-3-4-8-19(18)24-15)22(20-9-5-6-14-23-20)25-16-10-12-17(26-2)13-11-16/h3-14,22,24-25H,1-2H3
InChiKey: OHIGJQSSZJTBFS-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

Oprea1_551353
Oprea1_562128

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
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0041	0.014	0.0059
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0103	0.05
Schistosoma mansoni	hypothetical protein	0.005	0.0225	0.0503
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.05	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0103	0.035
Brugia malayi	hypothetical protein	0.0076	0.0478	0.163
Trichomonas vaginalis	esterase, putative	0.0037	0.0103	0.5
Entamoeba histolytica	hypothetical protein	0.0076	0.0478	1
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0103	0.05
Echinococcus granulosus	GPCR family 2	0.005	0.0225	0.0145
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.2932	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0225	0.0767
Schistosoma mansoni	hypothetical protein	0.005	0.0225	0.0503
Onchocerca volvulus		0.0085	0.0568	0.4574
Echinococcus multilocularis	GPCR, family 2	0.005	0.0225	0.0145
Schistosoma mansoni	lamin	0.0085	0.0568	0.1708
Echinococcus multilocularis	lamin	0.0085	0.0568	0.0491
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0103	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0103	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0103	0.035
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0225	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0553	0.1887
Brugia malayi	TAR-binding protein	0.0328	0.2932	1
Echinococcus granulosus	intermediate filament protein	0.0085	0.0568	0.0491
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0103	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.127	0.4333
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0103	0.05
Entamoeba histolytica	hypothetical protein	0.0076	0.0478	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.0478	0.04
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0103	0.035
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0103	0.05
Leishmania major	hypothetical protein, conserved	0.0037	0.0103	0.2052
Loa Loa (eye worm)	intermediate filament protein	0.0085	0.0568	0.1939
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0103	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0085	0.0568	0.1939
Loa Loa (eye worm)	hypothetical protein	0.004	0.0125	0.0427
Brugia malayi	cytoplasmic intermediate filament protein	0.0046	0.0184	0.0628
Brugia malayi	RNA recognition motif domain containing protein	0.0328	0.2932	1
Onchocerca volvulus		0.0037	0.0103	0.0826
Brugia malayi	latrophilin 2 splice variant baaae	0.0108	0.0786	0.2682
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0225	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0568	0.1939
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.2932	1
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.2932	1
Schistosoma mansoni	hypothetical protein	0.0108	0.0786	0.2474
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0225	0.0145
Schistosoma mansoni	intermediate filament proteins	0.0085	0.0568	0.1708
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0103	0.035
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0103	0.035
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0103	0.05
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0103	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0103	0.05
Brugia malayi	beta-lactamase	0.0037	0.0103	0.035
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.05	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0103	0.035
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0103	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0103	0.035
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0157	0.127	0.4333
Echinococcus multilocularis	lamin dm0	0.0085	0.0568	0.0491
Echinococcus multilocularis	tar DNA binding protein	0.0328	0.2932	0.2874
Brugia malayi	hypothetical protein	0.0078	0.05	0.1706
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0103	0.05
Echinococcus multilocularis	tumor protein p63	0.1056	1	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0103	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.014	0.0478
Schistosoma mansoni	hypothetical protein	0.005	0.0225	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0078	0.05	0.1706
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0103	0.0075
Echinococcus granulosus	tar DNA binding protein	0.0328	0.2932	0.2874
Echinococcus granulosus	lamin dm0	0.0085	0.0568	0.0491
Plasmodium vivax	ataxin-2 like protein, putative	0.0078	0.05	1
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.0478	0.1391
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0103	0.05
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0103	0.035
Schistosoma mansoni	hypothetical protein	0.0076	0.0478	0.1391
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0103	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.05	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0103	0.035
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0157	0.127	0.4333
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.2932	1
Onchocerca volvulus		0.0155	0.1242	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.1242	0.4238
Loa Loa (eye worm)	TAR-binding protein	0.0328	0.2932	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0103	0.0075
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0103	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0103	0.0021
Brugia malayi	intermediate filament protein	0.0085	0.0568	0.1939
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0103	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0078	0.05	1
Brugia malayi	MH2 domain containing protein	0.0262	0.2289	0.7808
Leishmania major	hypothetical protein, conserved	0.0078	0.05	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0041	0.014	0.0059
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0225	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0103	0.035
Loa Loa (eye worm)	hypothetical protein	0.004	0.0125	0.0427
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0157	0.127	0.4333
Onchocerca volvulus		0.0037	0.0103	0.0826
Schistosoma mansoni	cellular tumor antigen P53	0.0155	0.1242	0.4074
Loa Loa (eye worm)	transcription factor SMAD2	0.0262	0.2289	0.7808
Brugia malayi	hypothetical protein	0.005	0.0231	0.0788
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0225	0.0767
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0328	0.2932	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0103	0.035
Echinococcus granulosus	lamin	0.0085	0.0568	0.0491
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0103	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0046	0.0184	0.0628
Loa Loa (eye worm)	RNA binding protein	0.0328	0.2932	1
Entamoeba histolytica	hypothetical protein	0.0076	0.0478	1
Mycobacterium ulcerans	lipase LipD	0.0037	0.0103	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.2052	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.0478	0.04
Brugia malayi	Intermediate filament tail domain containing protein	0.0085	0.0568	0.1939
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0225	0.0767
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0103	0.05
Schistosoma mansoni	hypothetical protein	0.005	0.0225	0.0503
Schistosoma mansoni	lamin	0.0085	0.0568	0.1708
Entamoeba histolytica	hypothetical protein	0.0076	0.0478	1
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.2932	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0078	0.05	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0103	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0103	0.05
Onchocerca volvulus		0.0037	0.0103	0.0826
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.05	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0262	0.2289	0.7808
Onchocerca volvulus		0.0085	0.0568	0.4574
Brugia malayi	RNA binding protein	0.0328	0.2932	1
Echinococcus multilocularis	musashi	0.0085	0.0568	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0786	0.2682
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0225	0.0145

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 621667