TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 373.405 | Formula: C22H19N3O3
H donors: 3 H acceptors: 3 LogP: 3.68 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)N/N=C/c1ccccc1O
InChi: 1S/C22H19N3O3/c1-15-9-11-16(12-10-15)21(27)24-19-7-4-6-17(13-19)22(28)25-23-14-18-5-2-3-8-20(18)26/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+
InChiKey: CYJAARXHWQAFGK-OEAKJJBVSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Brugia malayi	Hexokinase family protein	0.0806	0.8517	1
Schistosoma mansoni	lamin	0.0031	0.0247	0.029
Onchocerca volvulus		0.0033	0.0269	0.0225
Toxoplasma gondii	hexokinase	0.0806	0.8517	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0107	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0241	0.0258
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0042	0.0361	0.0361
Echinococcus multilocularis	hexokinase	0.0806	0.8517	0.8517
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0042	0.0361	1
Echinococcus multilocularis	cpg binding protein	0.0035	0.0289	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0256	0.2647	0.3091
Echinococcus multilocularis	lysosomal alpha glucosidase	0.019	0.1938	0.1938
Trypanosoma brucei	hexokinase	0.0806	0.8517	1
Leishmania major	alpha glucosidase II subunit, putative	0.0042	0.0361	0.0335
Echinococcus multilocularis	lamin dm0	0.0031	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0073	0.006
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0042	0.0361	1
Treponema pallidum	hexokinase (hxk)	0.0806	0.8517	0.5
Echinococcus multilocularis	hexokinase type 2	0.0806	0.8517	0.8517
Onchocerca volvulus		0.0806	0.8517	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0359	0.0397
Echinococcus granulosus	hexokinase type 2	0.0806	0.8517	1
Onchocerca volvulus		0.0031	0.0247	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0359	0.0397
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0359	0.0397
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0067	0.0625	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0361	0.0335
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0042	0.0361	0.0002
Schistosoma mansoni	hypothetical protein	0.0018	0.0107	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0256	0.2647	0.3091
Echinococcus granulosus	GPCR family 2	0.0018	0.0107	0.0126
Trypanosoma cruzi	hexokinase, putative	0.0806	0.8517	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0107	0.0126
Loa Loa (eye worm)	hypothetical protein	0.004	0.0335	0.0369
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0531	0.0602
Brugia malayi	Glycosyl hydrolases family 31 protein	0.019	0.1938	0.2257
Trypanosoma brucei	glucosidase, putative	0.0042	0.0361	0.0335
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0042	0.0361	1
Echinococcus multilocularis	hexokinase	0.0806	0.8517	0.8517
Schistosoma mansoni	hypothetical protein	0.0018	0.0107	0.0126
Brugia malayi	intermediate filament protein	0.0031	0.0247	0.0266
Schistosoma mansoni	alpha glucosidase	0.0042	0.0361	0.0424
Onchocerca volvulus		0.0031	0.0247	0.0199
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0359	0.0332
Echinococcus granulosus	lysosomal alpha glucosidase	0.019	0.1938	0.2276
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.048	0.0564
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0359	0.0332
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0107	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0359	0.0397
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0361	0.0335
Schistosoma mansoni	cpg binding protein	0.0035	0.0289	0.0339
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0531	0.06
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0359	0.0332
Brugia malayi	hexokinase type II	0.0256	0.2647	0.3092
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0067	0.0625	0.0734
Brugia malayi	Hexokinase family protein	0.0249	0.2574	0.3006
Leishmania major	hexokinase, putative	0.0806	0.8517	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.048	0.048
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0359	0.9935
Plasmodium falciparum	hexokinase	0.0806	0.8517	0.5
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0361	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0359	0.0422
Brugia malayi	beta-lactamase family protein	0.0042	0.0359	0.0399
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0361	0.0335
Loa Loa (eye worm)	hexokinase	0.0506	0.531	0.6225
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.048	0.0564
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0359	0.0422
Loa Loa (eye worm)	hypothetical protein	0.055	0.5781	0.6779
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.048	0.054
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0359	0.0399
Entamoeba histolytica	hexokinase 2	0.0806	0.8517	1
Onchocerca volvulus	Hexokinase homolog	0.0506	0.531	0.62
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0067	0.0625	0.0647
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0359	0.9935
Schistosoma mansoni	cpg binding protein	0.0035	0.0289	0.0339
Loa Loa (eye worm)	hexokinase	0.0249	0.2574	0.3004
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0361	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0067	0.0625	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0067	0.0053
Echinococcus multilocularis	hexokinase	0.0806	0.8517	0.8517
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0067	0.0625	0.1101
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0361	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0091	0.0081
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0107	0.0107
Leishmania major	hypothetical protein, conserved	0.0042	0.0359	0.0332
Schistosoma mansoni	hypothetical protein	0.0018	0.0107	0.0126
Schistosoma mansoni	hypothetical protein	0.0018	0.0107	0.0126
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0269	0.0292
Loa Loa (eye worm)	hexokinase type II	0.0806	0.8517	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0359	0.0359
Brugia malayi	hexokinase	0.0806	0.8517	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0042	0.0361	0.0401
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0091	0.0083
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0022	0.0026
Loa Loa (eye worm)	hexokinase	0.0806	0.8517	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0067	0.0625	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0107	0.0126
Onchocerca volvulus		0.0506	0.531	0.62
Leishmania major	hexokinase, putative	0.0806	0.8517	1
Echinococcus multilocularis	musashi	0.0031	0.0247	0.0247
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0531	0.0602
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0359	0.9935
Loa Loa (eye worm)	hexokinase	0.0806	0.8517	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0015	0.0073	0.0073
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0247	0.029
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0063	0.0588	0.0281
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0269	0.029
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0361	0.0335
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0247	0.0265
Onchocerca volvulus		0.0806	0.8517	1
Onchocerca volvulus		0.0042	0.0359	0.0332
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0359	0.5
Schistosoma mansoni	hexokinase	0.0806	0.8517	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0067	0.0625	0.0712
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.019	0.1938	0.2256
Echinococcus granulosus	intermediate filament protein	0.0031	0.0247	0.029
Echinococcus granulosus	hexokinase	0.0806	0.8517	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.048	0.0564
Trichomonas vaginalis	esterase, putative	0.0042	0.0359	0.9935
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0359	0.0422
Echinococcus granulosus	lamin	0.0031	0.0247	0.029
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.048	0.0564
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0107	0.0107
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.0669	0.0786
Schistosoma mansoni	alpha-glucosidase	0.0163	0.1656	0.1944
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.048	0.0541
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0359	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0067	0.0053
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0359	0.9935
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.048	0.048
Echinococcus granulosus	cpg binding protein	0.0035	0.0289	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0359	0.0397
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0042	0.0361	0.0399
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0042	0.0361	1
Schistosoma mansoni	cpg binding protein	0.0033	0.0269	0.0315
Entamoeba histolytica	hexokinase 1	0.0806	0.8517	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0361	1
Echinococcus granulosus	lamin dm0	0.0031	0.0247	0.029
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0107	0.0103
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0361	1
Onchocerca volvulus		0.011	0.1084	0.1191
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0015	0.0073	0.0086
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0016	0.0079	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0247	0.0265
Onchocerca volvulus		0.0806	0.8517	1
Brugia malayi	beta-lactamase family protein	0.0042	0.0359	0.0399
Trypanosoma brucei	hexokinase, putative	0.0806	0.8517	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0359	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0107	0.0101
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0247	0.0266
Plasmodium vivax	hexokinase, putative	0.0806	0.8517	1
Echinococcus multilocularis	lamin	0.0031	0.0247	0.0247
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0268	0.2773	1
Brugia malayi	Hexokinase family protein	0.0506	0.531	0.6226
Brugia malayi	beta-lactamase	0.0042	0.0359	0.0399
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.048	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0079	0.0067
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0062	0.0577	0.0653
Onchocerca volvulus		0.0042	0.0359	0.0332
Schistosoma mansoni	alpha-glucosidase	0.0163	0.1656	0.1944
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0359	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0359	0.0397
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0067	0.0625	0.0734
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0359	0.9935
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0107	0.0103
Echinococcus multilocularis	lysosomal alpha glucosidase	0.019	0.1938	0.1938
Echinococcus granulosus	neutral alpha glucosidase AB	0.0042	0.0361	0.0424
Trypanosoma brucei	hexokinase	0.0806	0.8517	1
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0335	0.0371
Echinococcus granulosus	hexokinase	0.0806	0.8517	1
Onchocerca volvulus		0.0042	0.0359	0.0332
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0247	0.0265
Schistosoma mansoni	hypothetical protein	0.004	0.0335	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0531	0.06
Echinococcus granulosus	hexokinase	0.0806	0.8517	1
Schistosoma mansoni	lamin	0.0031	0.0247	0.029
Trypanosoma cruzi	hexokinase, putative	0.0806	0.8517	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

Search by Saint Jude

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 897327