TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 407.51 | Formula: C17H21N5O3S2
H donors: 0 H acceptors: 5 LogP: 1.23 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C1c2cscc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
InChi: 1S/C17H21N5O3S2/c23-16-14-12-26-13-15(14)27(24,25)22(16)7-2-1-6-20-8-10-21(11-9-20)17-18-4-3-5-19-17/h3-5,12-13H,1-2,6-11H2
InChiKey: DXJRYEYMDJYBNU-UHFFFAOYSA-N

Network

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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

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Clustering layers

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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	0.0126	0.0143	0.0065
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.1619	0.3711	0.3584
Brugia malayi	dihydrolipoamide S-acetyltransferase precursor, putative	0.0149	0.0198	0.0168
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0576	0.1219	0.2905
Trichomonas vaginalis	glucosylceramidase, putative	0.0265	0.0476	1
Toxoplasma gondii	pyruvate carboxylase	0.1619	0.3711	0.3584
Treponema pallidum	pyruvate carboxylase subunit B	0.0149	0.0198	0.5
Schistosoma mansoni	transient receptor potential channel 4	0.01	0.0081	0.0081
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.0366	0.0717	0.1476
Schistosoma mansoni	hypothetical protein	0.0168	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0143	0.0065
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0576	0.1219	0.1219
Mycobacterium leprae	ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6	0.0576	0.1219	0.2905
Trichomonas vaginalis	glucosylceramidase, putative	0.0265	0.0476	1
Schistosoma mansoni	dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase	0.0149	0.0198	0.0198
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0725	0.1575	0.5
Echinococcus granulosus	transient receptor potential gamma protein	0.01	0.0081	0.0081
Schistosoma mansoni	acetyl-CoA carboxylase	0.4251	1	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0174	0.0258	1
Brugia malayi	Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor	0.0149	0.0198	0.0168
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0576	0.1219	0.2905
Schistosoma mansoni	pyruvate carboxylase	0.1619	0.3711	0.3711
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0576	0.1219	0.2905
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0576	0.1219	0.172
Echinococcus granulosus	Biotin lipoyl attachment	0.0149	0.0198	0.0198
Trichomonas vaginalis	glucosylceramidase, putative	0.0183	0.0281	0.1027
Trichomonas vaginalis	glucosylceramidase, putative	0.0265	0.0476	1
Echinococcus multilocularis	snurportin 1	0.0305	0.0571	0.0571
Toxoplasma gondii	carbamoylphosphate synthetase	0.0366	0.0717	0.0529
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0576	0.1219	0.2905
Echinococcus granulosus	geminin	0.0168	0.0244	0.0244
Echinococcus granulosus	dihydrolipoyllysine residue succinyltransferase	0.0149	0.0198	0.0198
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0149	0.0198	0.0198
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0576	0.1219	0.2905
Leishmania major	carbamoyl-phosphate synthase, putative	0.0366	0.0717	0.0529
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.1619	0.3711	0.3711
Echinococcus multilocularis	transient receptor potential ion channel A	0.0096	0.0073	0.0073
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.3076	0.7193	1
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0576	0.1219	0.1219
Trypanosoma brucei	acetyl-CoA carboxylase	0.4251	1	1
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0725	0.1575	0.5
Echinococcus multilocularis	geminin	0.0168	0.0244	0.0244
Echinococcus multilocularis	dihydrolipoyllysine residue acetyltransferase	0.0149	0.0198	0.0198
Schistosoma mansoni	transient receptor potential channel	0.01	0.0081	0.0081
Brugia malayi	Carboxyl transferase domain containing protein	0.4102	0.9644	1
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.1619	0.3711	1
Echinococcus granulosus	transient receptor potential ion channel A	0.0096	0.0073	0.0073
Mycobacterium leprae	Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase)	0.0576	0.1219	0.2905
Trypanosoma cruzi	glutamine dependent carbamoyl-phosphate synthase, putative	0.0366	0.0717	0.0874
Trypanosoma cruzi	glutamine-dependent carbamoyl-phosphate synthetase, putative	0.0366	0.0717	0.0874
Schistosoma mansoni	hypothetical protein	0.0305	0.0571	0.0571
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0576	0.1219	0.1219
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.1619	0.3711	1
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.4251	1	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.1619	0.3711	1
Trypanosoma brucei	unspecified product	0.1064	0.2386	0.2232
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0576	0.1219	0.2905
Brugia malayi	hypothetical protein	0.0126	0.0143	0.0111
Mycobacterium ulcerans	pyruvate carboxylase	0.1619	0.3711	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0265	0.0476	1
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.1619	0.3711	1
Wolbachia endosymbiont of Brugia malayi	Acetyl-CoA carboxylase, carboxyltransferase component	0.0576	0.1219	0.2905
Wolbachia endosymbiont of Brugia malayi	carbamoyl phosphate synthase large subunit	0.0366	0.0717	0.1476
Plasmodium falciparum	carbamoyl phosphate synthetase	0.0366	0.0717	0.0742
Trichomonas vaginalis	glucosylceramidase, putative	0.0265	0.0476	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0265	0.0476	1
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0576	0.1219	0.1041
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.1619	0.3711	1
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.1619	0.3711	0.5922
Trichomonas vaginalis	glucosylceramidase, putative	0.0183	0.0281	0.1027
Chlamydia trachomatis	acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	0.0576	0.1219	0.3233
Brugia malayi	Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta	0.0149	0.0198	0.0168
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.1619	0.3711	1
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.1619	0.3711	0.3711
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0576	0.1219	0.2905
Trypanosoma brucei	glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative	0.0366	0.0717	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0198	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0198	0.0123
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0366	0.0717	0.0717
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0576	0.1219	0.2905
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0366	0.0717	0.0717
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0305	0.0571	0.0513
Schistosoma mansoni	aspartate carbamoyltransferase	0.0366	0.0717	0.0717
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.3076	0.7193	1
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.4251	1	1
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.1619	0.3711	0.5922
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0576	0.1219	0.172
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.1619	0.3711	0.3584
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.1619	0.3711	0.3711
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0198	0.0123
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.4102	0.9644	1
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0265	0.0476	0.0458
Leishmania major	carboxylase, putative	0.1619	0.3711	0.3584
Trypanosoma cruzi	acetyl-CoA carboxylase	0.2632	0.6131	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.1619	0.3711	1
Leishmania major	acetyl-CoA carboxylase, putative	0.4251	1	1
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0576	0.1219	0.1041
Mycobacterium leprae	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE)	0.0576	0.1219	0.2905
Echinococcus multilocularis	Biotin lipoyl attachment	0.0149	0.0198	0.0198
Echinococcus granulosus	snurportin 1	0.0305	0.0571	0.0571
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.4251	1	1
Schistosoma mansoni	hypothetical protein	0.0168	0.0244	0.0244
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0576	0.1219	0.1041
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0576	0.1219	0.172
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0149	0.0198	0.0198
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0576	0.1219	0.1041
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.0366	0.0717	0.0742
Echinococcus multilocularis	transient receptor potential gamma protein	0.01	0.0081	0.0081
Echinococcus multilocularis	dihydrolipoyllysine residue succinyltransferase	0.0149	0.0198	0.0198
Schistosoma mansoni	dihydrolipoamide S-acetyltransferase	0.0149	0.0198	0.0198
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.1619	0.3711	0.3584
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.1619	0.3711	0.3711
Echinococcus granulosus	dihydrolipoyllysine residue acetyltransferase	0.0149	0.0198	0.0198
Chlamydia trachomatis	biotin carboxylase	0.147	0.3356	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0265	0.0476	0.0414

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: CHEMBL1194403

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1151599