TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.558 | Formula: C23H27N5O2S
H donors: 1 H acceptors: 4 LogP: 2.11 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nn(c(c1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)Cc1cscc1)C
InChi: 1S/C23H27N5O2S/c1-4-18-10-21(27(3)26-18)23(30)25-12-20-15(2)24-11-17-13-28(7-5-19(17)20)22(29)9-16-6-8-31-14-16/h6,8,10-11,14H,4-5,7,9,12-13H2,1-3H3,(H,25,30)
InChiKey: OOJBJAAKNOOADR-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
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Leishmania major	oxidoreductase-like protein	0.0028	0.024	0.5599
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0429	0.6385
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0028	0.024	0.024
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0672	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0429	0.6385
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0429	0.6385
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0429	0.0193
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0407	1	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0429	0.0429
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0429	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0672	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0672	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0429	0.0429
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0028	0.024	0.024
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0407	1	1
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0028	0.024	0.024
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0429	0.0429
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0028	0.024	0.5599
Trypanosoma brucei	pteridine reductase 1	0.0028	0.024	0.5599
Mycobacterium ulcerans	oxidoreductase	0.0028	0.024	0.024
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0672	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0429	0.6385
Brugia malayi	beta-lactamase family protein	0.0035	0.0429	0.6385
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0429	0.0429
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0407	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0672	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0429	0.6385
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0028	0.024	0.024
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0028	0.024	0.024
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0429	0.6385
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0028	0.024	0.024
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0028	0.024	0.024
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0028	0.024	0.024
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0429	0.0429
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0028	0.024	0.3575
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Onchocerca volvulus		0.0035	0.0429	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Brugia malayi	beta-lactamase	0.0035	0.0429	0.6385
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0028	0.024	0.3575
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0028	0.024	0.5599
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0429	0.6385
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0429	0.6385
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0028	0.024	0.3575
Mycobacterium tuberculosis	Probable oxidoreductase	0.0028	0.024	0.024
Onchocerca volvulus		0.0035	0.0429	1
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0028	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0028	0.024	0.3575
Schistosoma mansoni	dihydropteridine reductase	0.0028	0.024	0.3575
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0429	0.0429
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0429	0.0429
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0028	0.024	0.024
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0028	0.024	0.3575
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0407	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0429	0.6385
Mycobacterium tuberculosis	Possible oxidoreductase	0.0028	0.024	0.024
Loa Loa (eye worm)	oxidoreductase	0.0028	0.024	0.3575
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0429	0.6385
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0028	0.024	0.3575
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0028	0.024	0.5599
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0672	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0429	0.6385
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0429	0.0429
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0028	0.024	0.3575
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0028	0.024	0.024
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0672	1
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0407	1	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0429	0.0429
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0429	0.0429
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Leishmania major	hypothetical protein, conserved	0.0035	0.0429	1
Trichomonas vaginalis	hypothetical protein	0.0407	1	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0429	0.0429
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0672	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0028	0.024	0.024
Toxoplasma gondii	ABC1 family protein	0.0035	0.0429	0.0429
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0028	0.024	0.024
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.5266	0.5266
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0429	0.0429
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0429	0.0429
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0429	0.0429
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0429	0.0193
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0028	0.024	0.3575
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0429	0.0429
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0429	0.6385
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0429	0.0429
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0407	1	1
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0028	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0429	0.6385
Mycobacterium tuberculosis	Possible oxidoreductase	0.0028	0.024	0.024
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0028	0.024	0.5599
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0429	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0429	0.6385
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0028	0.024	0.024
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0028	0.024	0.5599
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0429	0.0429
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0028	0.024	0.024
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0429	0.0429
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0407	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0672	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0028	0.024	0.5599
Trichomonas vaginalis	esterase, putative	0.0035	0.0429	0.0429
Onchocerca volvulus		0.0035	0.0429	1
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0028	0.024	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0028	0.024	0.024
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0429	0.0429
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0429	0.0429
Leishmania major	pteridine reductase 1	0.0028	0.024	0.5599
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0028	0.024	0.5599
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0028	0.024	0.024
Trypanosoma brucei	oxidoreductase-like protein	0.0028	0.024	0.5599
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0429	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0028	0.024	0.024
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0028	0.024	0.024

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 821014