TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 394.962 | Formula: C19H27ClN4OS
H donors: 1 H acceptors: 2 LogP: 3.98 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CSCCNCc1c(nc2n1cc(Cl)cc2)C(=O)N1CCCCCCC1
InChi: 1S/C19H27ClN4OS/c1-26-12-9-21-13-16-18(22-17-8-7-15(20)14-24(16)17)19(25)23-10-5-3-2-4-6-11-23/h7-8,14,21H,2-6,9-13H2,1H3
InChiKey: KDJAQLUJWGNQNN-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
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0057	0.0696	0.1123
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.006	0.0758	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.2769	0.3176
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0483	0.0555
Echinococcus granulosus	tumor protein p63	0.0333	0.6815	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0057	0.0696	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0868	0.0608
Brugia malayi	latrophilin 2 splice variant baaae	0.0103	0.1711	0.1963
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0758	0.0934
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0868	0.0608
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0868	0.0996
Brugia malayi	RNA binding protein	0.0065	0.0868	0.0996
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0057	0.0696	0.1123
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0161	0.299	1
Schistosoma mansoni	hypothetical protein	0.0181	0.3428	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0057	0.0696	0.1123
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.006	0.0758	0.0434
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.2436	0.3083
Brugia malayi	TAR-binding protein	0.0065	0.0868	0.0996
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0181	0.3428	0.4651
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0377	0.0609
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0144	0.2628	0.4244
Leishmania major	mitochondrial DNA polymerase beta	0.0305	0.6193	1
Toxoplasma gondii	exonuclease III APE	0.0057	0.0696	0.9173
Schistosoma mansoni	ap endonuclease	0.0057	0.0696	0.072
Echinococcus multilocularis	tumor protein p63	0.0333	0.6815	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0181	0.3428	0.4651
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0057	0.0696	0.0335
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.006	0.0758	0.0434
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0057	0.0696	0.0335
Mycobacterium ulcerans	hypothetical protein	0.0161	0.299	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.2436	0.663
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0057	0.0696	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0057	0.0696	0.0798
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.2436	0.663
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0057	0.0696	0.0798
Loa Loa (eye worm)	hypothetical protein	0.006	0.0758	0.087
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0758	0.0934
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0868	0.1307
Brugia malayi	Pre-SET motif family protein	0.006	0.0758	0.087
Brugia malayi	hypothetical protein	0.0181	0.3428	0.3933
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0058	0.0709	0.0357
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0377	0.0609
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0136	0.2436	0.2794
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.2436	0.3083
Entamoeba histolytica	hypothetical protein	0.0181	0.3428	1
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0868	0.0996
Echinococcus granulosus	histone lysine methyltransferase setb	0.006	0.0758	0.0434
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0057	0.0696	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0868	0.1307
Entamoeba histolytica	hypothetical protein	0.0181	0.3428	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0057	0.0696	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0868	0.1307
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0057	0.0696	0.1123
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0868	0.0996
Schistosoma mansoni	hypothetical protein	0.0175	0.33	0.9563
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0151	0.2769	0.3176
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0144	0.2628	0.4244
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.2436	0.663
Entamoeba histolytica	hypothetical protein	0.0181	0.3428	1
Schistosoma mansoni	hypothetical protein	0.0103	0.1711	0.4169
Schistosoma mansoni	transcription factor LCR-F1	0.0181	0.3428	1
Schistosoma mansoni	ap endonuclease	0.0057	0.0696	0.072
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0305	0.6193	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.2436	0.3083
Toxoplasma gondii	hypothetical protein	0.0049	0.0517	0.682
Echinococcus multilocularis	geminin	0.0175	0.33	0.4448
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0868	0.0996
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0151	0.2769	0.3176
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0483	0.0555
Brugia malayi	Pre-SET motif family protein	0.0419	0.8716	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0057	0.0696	0.9173
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.006	0.0758	0.0934
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0144	0.2628	0.4244
Plasmodium vivax	SET domain protein, putative	0.006	0.0758	1
Schistosoma mansoni	hypothetical protein	0.0175	0.33	0.9563
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0151	0.2769	0.3176
Trichomonas vaginalis	set domain proteins, putative	0.0477	1	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0377	0.0609
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0305	0.6193	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0868	0.1307
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0419	0.8716	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0507	0.0582
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0377	0.0609
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0585	0.0945
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0758	0.0934
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1711	0.1963
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0136	0.2436	0.2794
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0507	0.0081
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0483	0.0555
Entamoeba histolytica	hypothetical protein	0.0181	0.3428	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0305	0.6193	1
Echinococcus granulosus	geminin	0.0175	0.33	0.4448
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0483	0.0555
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0868	0.1307
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.2436	0.3083
Onchocerca volvulus		0.006	0.0758	0.0265

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 755466