TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 348.46 | Formula: C18H24N2O3S
H donors: 1 H acceptors: 3 LogP: 0.2 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CSCC[C@H](N1C(=O)[C@H]2N(C1(C)C)Cc1c(C2)cccc1)C(=O)O
InChi: 1S/C18H24N2O3S/c1-18(2)19-11-13-7-5-4-6-12(13)10-15(19)16(21)20(18)14(17(22)23)8-9-24-3/h4-7,14-15H,8-11H2,1-3H3,(H,22,23)/t14-,15-/m0/s1
InChiKey: FAWUUWUKRRDXON-GJZGRUSLSA-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
Schistosoma mansoni	hypothetical protein	0.0155	0.0119	0.0119
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0087	0.0087
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0016	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0084	0.0058	0.0058
Mycobacterium ulcerans	DNA polymerase IV	0.0016	0	0.5
Schistosoma mansoni	hypothetical protein	0.0155	0.0119	0.0119
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0016	0	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0155	0.0119	0.0119
Brugia malayi	Calcitonin receptor-like protein seb-1	0.049	0.0405	0.0405
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.049	0.0405	0.0405
Brugia malayi	TAR-binding protein	0.0118	0.0087	0.0087
Echinococcus granulosus	dna polymerase eta	0.0037	0.0018	0.0018
Schistosoma mansoni	sodium-bile acid cotransporter related	1.1725	1	1
Loa Loa (eye worm)	hypothetical protein	0.049	0.0405	0.0405
Leishmania major	DNA polymerase eta, putative	0.0026	0.0008	0.4775
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0087	0.0087
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0084	0.0058	0.0058
Leishmania major	DNA polymerase eta, putative	0.0037	0.0018	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0037	0.0018	0.0018
Trypanosoma cruzi	DNA polymerase eta, putative	0.0037	0.0018	1
Echinococcus granulosus	GPCR family 2	0.0155	0.0119	0.0119
Loa Loa (eye worm)	transcription factor SMAD2	0.0105	0.0076	0.0076
Loa Loa (eye worm)	MH2 domain-containing protein	0.0105	0.0076	0.0076
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0026	0.0008	0.5
Schistosoma mansoni	sodium-bile acid cotransporter related	0.4754	0.4047	0.4047
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0155	0.0119	0.0119
Echinococcus multilocularis	sodium bile acid cotransporter	1.1725	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0118	0.0087	0.0087
Echinococcus multilocularis	dna polymerase eta	0.0037	0.0018	0.0018
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0155	0.0119	0.0119
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0155	0.0119	0.0119
Echinococcus multilocularis	GPCR, family 2	0.0155	0.0119	0.0119
Echinococcus multilocularis	tar DNA binding protein	0.0118	0.0087	0.0087
Trypanosoma cruzi	DNA polymerase eta, putative	0.0026	0.0008	0.4775
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0084	0.0058	0.0058
Brugia malayi	RNA binding protein	0.0118	0.0087	0.0087
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0087	0.0087
Schistosoma mansoni	hypothetical protein	0.0155	0.0119	0.0119
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0016	0	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0084	0.0058	0.0058
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0155	0.0119	0.0119
Schistosoma mansoni	sodium-bile acid cotransporter	0.6971	0.594	0.594
Loa Loa (eye worm)	hypothetical protein	0.0335	0.0272	0.0272
Echinococcus multilocularis	sodium bile acid cotransporter	1.1725	1	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0119	0.0119
Brugia malayi	latrophilin 2 splice variant baaae	0.0335	0.0272	0.0272
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0084	0.0058	0.0058
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0084	0.0058	0.0058
Echinococcus granulosus	tar DNA binding protein	0.0118	0.0087	0.0087
Brugia malayi	MH2 domain containing protein	0.0105	0.0076	0.0076
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0084	0.0058	0.0058
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0016	0	0.5
Trypanosoma brucei	DNA polymerase eta, putative	0.0037	0.0018	1
Echinococcus granulosus	sodium bile acid cotransporter	1.1725	1	1
Onchocerca volvulus		1.1725	1	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0084	0.0058	0.0058
Echinococcus multilocularis	sodium bile acid cotransporter	1.1725	1	1
Giardia lamblia	DINP protein human, muc B family	0.0016	0	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.049	0.0405	0.0405
Loa Loa (eye worm)	hypothetical protein	1.1725	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0084	0.0058	0.0058
Schistosoma mansoni	hypothetical protein	0.0155	0.0119	0.0119
Schistosoma mansoni	hypothetical protein	0.0335	0.0272	0.0272
Echinococcus granulosus	sodium bile acid cotransporter	1.1725	1	1
Loa Loa (eye worm)	RNA binding protein	0.0118	0.0087	0.0087
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0087	0.0087
Schistosoma mansoni	DNA polymerase eta	0.0037	0.0018	0.0018
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0118	0.0087	0.0087
Brugia malayi	Latrophilin receptor protein 2	0.0155	0.0119	0.0119
Trichomonas vaginalis	DNA polymerase eta, putative	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0018	0.0018
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0087	0.0087
Mycobacterium ulcerans	DNA polymerase IV	0.0016	0	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0118	0.0087	0.0087
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0155	0.0119	0.0119
Echinococcus granulosus	sodium bile acid cotransporter	1.1725	1	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

ChEMBL: CHEMBL1642831

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 1471919