TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 425.501 | Formula: C22H23N3O4S
H donors: 2 H acceptors: 3 LogP: 3.67 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)NC(=O)Cc1csc(n1)NC(=O)c1cc(OC)cc(c1)OC
InChi: 1S/C22H23N3O4S/c1-4-14-5-7-16(8-6-14)23-20(26)11-17-13-30-22(24-17)25-21(27)15-9-18(28-2)12-19(10-15)29-3/h5-10,12-13H,4,11H2,1-3H3,(H,23,26)(H,24,25,27)
InChiKey: OUEQRQWJGQZNKK-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
Loa Loa (eye worm)	hypothetical protein	0.0281	0.3717	0.8711
Trypanosoma cruzi	polo-like protein kinase, putative	0.0108	0.1328	1
Loa Loa (eye worm)	DOMON domain-containing protein	0.0017	0.0077	0.0179
Brugia malayi	hypothetical protein	0.0042	0.0423	0.0992
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.0577	0.0401
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0042	0.0423	0.0992
Echinococcus multilocularis	MAM	0.0018	0.0094	0.0094
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0514	0.0514
Trichomonas vaginalis	CAMK family protein kinase	0.0108	0.1328	0.2355
Brugia malayi	serine/threonine-protein kinase plk-2	0.0108	0.1328	0.3113
Onchocerca volvulus		0.0017	0.0077	0.0576
Schistosoma mansoni	microtubule-associated protein tau	0.0736	1	1
Brugia malayi	Muscle positioning protein 4	0.0017	0.0077	0.0179
Schistosoma mansoni	hypothetical protein	0.0018	0.0094	0.0094
Schistosoma mansoni	hypothetical protein	0.0392	0.5253	0.5253
Entamoeba histolytica	hypothetical protein	0.0042	0.0423	0.0003
Schistosoma mansoni	hypothetical protein	0.0042	0.0423	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0077	0.0179
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0039	0.0381	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0929	0.2178
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0037	0.0345	0.0808
Brugia malayi	Augmenter of liver regeneration	0.0039	0.0381	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0423	0.0992
Schistosoma mansoni	serine/threonine protein kinase	0.0108	0.1328	0.1328
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0039	0.0381	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0514	0.0514
Brugia malayi	photoreceptor-specific nuclear receptor	0.0281	0.3717	0.8711
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0423	0.0445
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0039	0.0381	0.5
Toxoplasma gondii	Erv1 / Alr family protein	0.0039	0.0381	0.5
Echinococcus granulosus	ubiquitin specific protease 41	0.0042	0.0423	0.0423
Schistosoma mansoni	hypothetical protein	0.0018	0.0094	0.0094
Echinococcus multilocularis	ubiquitin specific protease 41	0.0042	0.0423	0.0423
Onchocerca volvulus		0.0017	0.0077	0.0576
Schistosoma mansoni	hypothetical protein	0.0037	0.0345	0.0345
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0042	0.0423	0.0423
Trypanosoma brucei	polo-like protein kinase	0.0108	0.1328	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0108	0.1328	1
Echinococcus multilocularis	GPCR, family 2	0.0037	0.0345	0.0345
Giardia lamblia	Kinase, PLK	0.0108	0.1328	1
Brugia malayi	hypothetical protein	0.0018	0.0094	0.0221
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0423	0.0445
Onchocerca volvulus		0.0018	0.0094	0.071
Trichomonas vaginalis	CAMK family protein kinase	0.0108	0.1328	0.2355
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0037	0.0345	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0094	0.0221
Brugia malayi	latrophilin 2 splice variant baaae	0.0079	0.0929	0.2178
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.0423	0.0423
Schistosoma mansoni	glutaminase	0.0321	0.4267	0.4267
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0423	0.0423
Brugia malayi	Latrophilin receptor protein 2	0.0037	0.0345	0.0808
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0037	0.0345	0.0345
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0115	0.1433	0.3358
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0423	0.0423
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0108	0.1328	0.1328
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0108	0.1328	1
Schistosoma mansoni	hypothetical protein	0.0392	0.5253	0.5253
Trypanosoma cruzi	polo-like protein kinase, putative	0.0108	0.1328	1
Loa Loa (eye worm)	glutaminase	0.0321	0.4267	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0423	0.0003
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0514	0.0514
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0115	0.1433	0.3358
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0514	0.0514
Schistosoma mansoni	kinase	0.0055	0.0597	0.0597
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0037	0.0345	0.0345
Loa Loa (eye worm)	glutaminase 2	0.0321	0.4267	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0514	0.0514
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0042	0.0423	0.0423
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0514	0.1205
Echinococcus granulosus	MAM	0.0018	0.0094	0.0094
Brugia malayi	SEA domain containing protein	0.0017	0.0077	0.0179
Schistosoma mansoni	hypothetical protein	0.0017	0.0077	0.0077
Loa Loa (eye worm)	hepatopoietin HPO2	0.0039	0.0381	0.0893
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0423	0.0445
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.0577	0.0401
Trichomonas vaginalis	glutaminase, putative	0.0321	0.4267	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0037	0.0345	0.0808
Trichomonas vaginalis	CAMK family protein kinase	0.0108	0.1328	0.2355
Schistosoma mansoni	hypothetical protein	0.0037	0.0345	0.0345
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0042	0.0423	0.0423
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0423	0.0423
Toxoplasma gondii	Erv1 / Alr family protein	0.0039	0.0381	0.5
Loa Loa (eye worm)	TK/ALK protein kinase	0.0018	0.0094	0.0221
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0108	0.1328	0.1328
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0039	0.0381	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1433	0.3358
Entamoeba histolytica	hypothetical protein	0.0042	0.0423	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0094	0.0221
Trichomonas vaginalis	CAMK family protein kinase	0.0108	0.1328	0.2355
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0345	0.0808
Brugia malayi	glutaminase DH11.1	0.0321	0.4267	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0115	0.1433	0.3358
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0514	0.1205
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0514	0.0514
Entamoeba histolytica	hypothetical protein	0.0042	0.0423	0.0003
Onchocerca volvulus		0.0018	0.0094	0.071
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0108	0.1328	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0042	0.0423	0.0445
Onchocerca volvulus		0.0017	0.0077	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0094	0.0221
Trichomonas vaginalis	CAMK family protein kinase	0.0108	0.1328	0.2355
Echinococcus multilocularis	geminin	0.0392	0.5253	0.5253
Trichomonas vaginalis	CAMK family protein kinase	0.0108	0.1328	0.2355
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.0423	0.0423
Mycobacterium ulcerans	glutaminase	0.0321	0.4267	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.0736	1	1
Schistosoma mansoni	hypothetical protein	0.0079	0.0929	0.0929
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0042	0.0423	0.0423
Echinococcus granulosus	geminin	0.0392	0.5253	0.5253
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0108	0.1328	0.3113
Echinococcus granulosus	GPCR family 2	0.0037	0.0345	0.0345
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0037	0.0345	0.0345
Onchocerca volvulus		0.0017	0.0077	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0077	0.0179
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0094	0.0221
Schistosoma mansoni	hypothetical protein	0.0037	0.0345	0.0345
Schistosoma mansoni	hypothetical protein	0.0037	0.0345	0.0345
Onchocerca volvulus		0.0017	0.0077	0.0576
Trichomonas vaginalis	CAMK family protein kinase	0.0108	0.1328	0.2355
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0514	0.0514

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 687808