TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 420.527 | Formula: C23H24N4O2S
H donors: 3 H acceptors: 3 LogP: 4.75 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CNc1ccc2c(c1C)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1C
InChi: 1S/C23H24N4O2S/c1-14-6-5-7-18-21(14)26-22-15(2)20(24-3)13-12-19(22)23(18)25-16-8-10-17(11-9-16)27-30(4,28)29/h5-13,24,27H,1-4H3,(H,25,26)
InChiKey: HGTDVOFPSJYKAQ-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	0.0133	0.1054	0.1054
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Treponema pallidum	ATP-dependent RNA helicase	0.0572	1	0.5
Plasmodium vivax	RNA helicase-1, putative	0.0572	1	0.5
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0572	1	0.5
Brugia malayi	Trypsin family protein	0.0133	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1054	0.1054
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0572	1	0.5
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0572	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0572	1	0.5
Schistosoma mansoni	hypothetical protein	0.0133	0.1054	0.1054
Schistosoma mansoni	hypothetical protein	0.0133	0.1054	0.1054
Loa Loa (eye worm)	trypsin family protein	0.0133	0.1054	0.1054
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0133	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0572	1	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1054	0.1054
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1054	0.1054
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0572	1	1
Echinococcus multilocularis	enteropeptidase	0.0133	0.1054	0.1054
Echinococcus granulosus	transmembrane protease serine 3	0.0133	0.1054	0.1054
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0133	0.1054	0.1054
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0133	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1054	0.1054
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0572	1	0.5
Leishmania major	eukaryotic initiation factor 4a, putative	0.0572	1	0.5
Echinococcus multilocularis	Mastin	0.0133	0.1054	0.1054
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0572	1	0.5
Brugia malayi	hypothetical protein	0.0133	0.1054	0.1054
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0572	1	1
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0133	0.1054	0.1054
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0572	1	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Brugia malayi	Trypsin family protein	0.0133	0.1054	0.1054
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Mycobacterium ulcerans	hypothetical protein	0.0133	0.1054	0.5
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0572	1	1
Echinococcus multilocularis	glycoprotein Antigen 5	0.0133	0.1054	0.1054
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0133	0.1054	0.1054
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0133	0.1054	0.1054
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0572	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Leishmania major	eukaryotic initiation factor 4a, putative	0.0572	1	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0572	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0572	1	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0133	0.1054	0.1054
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0572	1	0.5
Echinococcus granulosus	enteropeptidase	0.0133	0.1054	0.1054
Echinococcus granulosus	Mastin	0.0133	0.1054	0.1054
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0572	1	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0133	0.1054	0.1054
Brugia malayi	Trypsin-like protease protein 5	0.0133	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1054	0.1054
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0572	1	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1054	0.1054
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0133	0.1054	0.1054
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0133	0.1054	0.1054
Brugia malayi	Trypsin family protein	0.0133	0.1054	0.1054
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0133	0.1054	0.1054
Echinococcus granulosus	glycoprotein Antigen 5	0.0133	0.1054	0.1054
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0572	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0133	0.1054	0.1054
Echinococcus multilocularis	transmembrane protease serine 3	0.0133	0.1054	0.1054
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0133	0.1054	0.1054
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0133	0.1054	0.1054
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0572	1	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ILSmax (functional)	= 70 %	Tumor cell selectivity determined as maximal percent increase in life span (ILSmax) at LD10 dosage level in L1210 cells	ChEMBL.	7120279
ILSmax (functional)	= 70 %	Tumor cell selectivity determined as maximal percent increase in life span (ILSmax) at LD10 dosage level in L1210 cells	ChEMBL.	7120279

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 303614