TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 405.513 | Formula: C23H23N3O2S
H donors: 3 H acceptors: 3 LogP: 3.5 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc2c(c1CN1CCC(CC1)(O)c1ccccc1)nc([nH]2)c1cccs1
InChi: 1S/C23H23N3O2S/c27-19-9-8-18-21(25-22(24-18)20-7-4-14-29-20)17(19)15-26-12-10-23(28,11-13-26)16-5-2-1-3-6-16/h1-9,14,27-28H,10-13,15H2,(H,24,25)
InChiKey: HJMHXCXRDZCQFS-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	cytochrome p450-like protein	0.0027	0.2869	0.3839
Echinococcus multilocularis	dna polymerase eta	0.0017	0.0821	0.0118
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0025	0.2421	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0017	0.0821	0.0118
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.628	0.8482
Echinococcus granulosus	dna polymerase kappa	0.0048	0.7271	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0017	0.0821	0.0083
Echinococcus multilocularis	ubiquitin specific protease 41	0.0043	0.628	0.8482
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0821	0.0083
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0017	0.0821	0.0118
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.7271	1
Trypanosoma cruzi	cytochrome P450, putative	0.0027	0.2869	0.3256
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.7271	1
Trypanosoma brucei	cytochrome P450, putative	0.0027	0.2869	0.3256
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0048	0.7271	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0048	0.7271	1
Mycobacterium ulcerans	DNA polymerase IV	0.0048	0.7271	1
Mycobacterium leprae	Conserved hypothetical protein	0.0017	0.0744	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1332	0.0901
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0017	0.0821	0.0083
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0017	0.0744	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.628	0.8482
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0017	0.0821	0.014
Echinococcus granulosus	ubiquitin specific protease 41	0.0043	0.628	0.8482
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0043	0.628	1
Mycobacterium leprae	putative cytochrome p450	0.0017	0.0744	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0017	0.0821	0.014
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1332	0.0901
Loa Loa (eye worm)	hypothetical protein	0.0043	0.628	0.5981
Brugia malayi	ImpB/MucB/SamB family protein	0.0017	0.0821	0.0083
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.2869	0.2296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.7271	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0043	0.628	0.5981
Leishmania major	DNA polymerase eta, putative	0.0017	0.0821	0.014
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0043	0.628	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0036	0.485	0.6291
Brugia malayi	Cytochrome P450 family protein	0.0027	0.2869	0.2296
Mycobacterium ulcerans	DNA polymerase IV	0.0048	0.7271	1
Brugia malayi	Cytochrome P450 family protein	0.0027	0.2869	0.2296
Trypanosoma cruzi	cytochrome P450, putative	0.0027	0.2869	0.3256
Trypanosoma cruzi	DNA polymerase eta, putative	0.0017	0.0821	0.0118
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0027	0.2869	0.3256
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0043	0.628	0.8482
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.7271	1
Schistosoma mansoni	DNA polymerase eta	0.0017	0.0821	0.014
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0048	0.7271	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0048	0.7271	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.485	0.4436
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0043	0.628	0.8482
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.7271	1
Leishmania major	DNA polymerase kappa, putative	0.0025	0.2421	0.303
Brugia malayi	polk-prov protein	0.0036	0.485	0.4436
Trypanosoma brucei	unspecified product	0.004	0.5671	0.7548
Loa Loa (eye worm)	cytochrome P450 family protein	0.0061	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0048	0.7271	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0025	0.2421	0.257
Echinococcus multilocularis	dna polymerase kappa	0.0048	0.7271	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0048	0.7271	1
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.5671	0.7548
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.2869	0.2296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.7271	1
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0043	0.628	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0043	0.628	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0048	0.7271	1
Echinococcus granulosus	dna polymerase eta	0.0017	0.0821	0.0118
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.1332	0.0901
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0017	0.0821	0.0118
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0043	0.628	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.7271	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0017	0.0821	0.0461
Loa Loa (eye worm)	CYP4Cod1	0.0027	0.2869	0.2296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.7271	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0025	0.2421	0.303
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.7271	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0043	0.628	0.8482
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.628	0.8482
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0043	0.628	0.8482
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0048	0.7271	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0036	0.485	0.6291

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: CHEMBL526439

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 1023598