TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 428.526 | Formula: C26H28N4O2
H donors: 1 H acceptors: 2 LogP: 3.59 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)CNC(=O)Cn1ncc2c(c1=O)c(C)n(c2C)Cc1ccc(cc1)C
InChi: 1S/C26H28N4O2/c1-17-5-9-21(10-6-17)13-27-24(31)16-30-26(32)25-20(4)29(19(3)23(25)14-28-30)15-22-11-7-18(2)8-12-22/h5-12,14H,13,15-16H2,1-4H3,(H,27,31)
InChiKey: JVVQSBNDGDULQF-UHFFFAOYSA-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	Trypsin family protein	0.0022	0.0248	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0082	0.3939	0.3881
Echinococcus multilocularis	glycoprotein Antigen 5	0.0022	0.0248	0.0243
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0022	0.0248	0.0385
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0696	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2588	0.2533
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Echinococcus granulosus	transmembrane protease serine 3	0.0022	0.0248	0.0243
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0082	0.3939	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	0.6437	1
Brugia malayi	RNA recognition motif domain containing protein	0.0073	0.3355	0.3306
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0124	0.6437	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3355	0.5212
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0093	0.002
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0696	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0073	0.3355	0.3292
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3355	0.5212
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0696	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0696	0.1081
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0696	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0022	0.0248	0.0385
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0022	0.0248	0.0243
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	0.6437	1
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0022	0.0248	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0248	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0182	1	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0082	0.3939	0.6119
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0082	0.3939	0.6119
Toxoplasma gondii	melibiase subfamily protein	0.0124	0.6437	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0093	0.002
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0039	0.1301	0.1237
Brugia malayi	Trypsin-like protease protein 5	0.0022	0.0248	0.0176
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3355	0.5212
Brugia malayi	MH2 domain containing protein	0.0144	0.7678	0.7661
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0124	0.6437	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0248	0.0156
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0022	0.0248	0.0385
Echinococcus multilocularis	transmembrane protease serine 3	0.0022	0.0248	0.0243
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0022	0.0248	0.0243
Echinococcus multilocularis	Mastin	0.0022	0.0248	0.0243
Schistosoma mansoni	hypothetical protein	0.0022	0.0248	0.0385
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0022	0.0248	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0248	0.0156
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1433	0.137
Brugia malayi	RNA binding protein	0.0073	0.3355	0.3306
Schistosoma mansoni	hypothetical protein	0.0022	0.0248	0.0385
Echinococcus multilocularis	tar DNA binding protein	0.0073	0.3355	0.5142
Schistosoma mansoni	hypothetical protein	0.0019	0.0093	0.0145
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2588	0.2533
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0039	0.1301	0.1219
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	0.6437	1
Brugia malayi	Melibiase family protein	0.0082	0.3939	0.3894
Schistosoma mansoni	voltage-gated potassium channel	0.0043	0.1518	0.2359
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.7678	0.7656
Brugia malayi	TAR-binding protein	0.0073	0.3355	0.3306
Leishmania major	hypothetical protein, conserved	0.0029	0.0696	0.5
Brugia malayi	hypothetical protein	0.0022	0.0248	0.0176
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0022	0.0248	0.0243
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0696	0.5
Echinococcus multilocularis	enteropeptidase	0.0022	0.0248	0.0243
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0696	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3355	0.5212
Schistosoma mansoni	hypothetical protein	0.0019	0.0093	0.0145
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0124	0.6437	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0022	0.0248	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0248	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0248	0.0156
Loa Loa (eye worm)	RNA binding protein	0.0073	0.3355	0.3292
Mycobacterium ulcerans	hypothetical protein	0.0022	0.0248	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0039	0.1301	0.1904
Echinococcus granulosus	Mastin	0.0022	0.0248	0.0243
Loa Loa (eye worm)	trypsin family protein	0.0022	0.0248	0.0156
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0039	0.1301	0.1904
Echinococcus granulosus	glycoprotein Antigen 5	0.0022	0.0248	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0248	0.0156
Brugia malayi	Trypsin family protein	0.0022	0.0248	0.0176
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0022	0.0248	0.0385
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2588	0.2518
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0989	0.0904
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.7678	0.7656
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	0.6437	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.2588	0.2518
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0022	0.0248	0.0385
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Schistosoma mansoni	hypothetical protein	0.0019	0.0093	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1433	0.1353
Brugia malayi	hypothetical protein	0.0029	0.0696	0.0627
Echinococcus granulosus	enteropeptidase	0.0022	0.0248	0.0243
Schistosoma mansoni	voltage-gated potassium channel	0.0043	0.1518	0.2359
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3355	0.5212
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0696	0.0608
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0022	0.0248	0.0385
Brugia malayi	Trypsin family protein	0.0022	0.0248	0.0176
Onchocerca volvulus		0.0182	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	0.3355	0.3292
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0022	0.0248	0.0385
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Schistosoma mansoni	hypothetical protein	0.0041	0.1433	0.2227
Schistosoma mansoni	cercarial elastase (S01 family)	0.0022	0.0248	0.0385
Echinococcus granulosus	tar DNA binding protein	0.0073	0.3355	0.5142
Schistosoma mansoni	hypothetical protein	0.0019	0.0093	0.0145
Brugia malayi	Trypsin family protein	0.0022	0.0248	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0248	0.0156

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 829624