TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 236.293 | Formula: C10H12N4OS
H donors: 1 H acceptors: 4 LogP: 2.15 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CSc1nn2c(n1)nc1c(c2O)CCCC1
InChi: 1S/C10H12N4OS/c1-16-10-12-9-11-7-5-3-2-4-6(7)8(15)14(9)13-10/h15H,2-5H2,1H3
InChiKey: MCPOVSPLDBBPCR-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0114	0.0542	0.0507
Trichomonas vaginalis	glutaminase, putative	0.0269	0.1742	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0424	0.2934	0.6187
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0089	0.0133
Brugia malayi	Latrophilin receptor protein 2	0.0424	0.2934	0.2934
Leishmania major	NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe	0.005	0.0052	0.0661
Echinococcus granulosus	segment polarity protein dishevelled	0.0057	0.0107	0.0225
Echinococcus multilocularis	segment polarity protein dishevelled	0.0057	0.0107	0.0148
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0264	0.2911
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0145	0.0782	0.1649
Toxoplasma gondii	isocitrate dehydrogenase	0.0145	0.0782	1
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.005	0.0052	0.0661
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0264	0.3379
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0145	0.0782	0.1083
Schistosoma mansoni	z-protein (S1r protein)	0.0057	0.0107	0.0159
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0089	0.0089
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0264	0.3379
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0658	0.4742	0.4742
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0145	0.0782	1
Echinococcus multilocularis	tar DNA binding protein	0.0658	0.4742	0.6563
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0057	0.0107	0.0159
Schistosoma mansoni	dishevelled	0.0057	0.0107	0.0159
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0424	0.2934	0.406
Brugia malayi	isocitrate dehydrogenase	0.0145	0.0782	0.0782
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0057	0.0107	0.0107
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0145	0.0782	0.1162
Toxoplasma gondii	histone deacetylase SIR2	0.005	0.0052	0.0661
Loa Loa (eye worm)	glutaminase 2	0.0269	0.1742	0.1742
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0057	0.0107	0.0148
Brugia malayi	hypothetical protein	0.0078	0.0264	0.0264
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1182	0.1636
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.005	0.0052	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0915	0.6729	0.6729
Echinococcus multilocularis	GPCR, family 2	0.0424	0.2934	0.406
Brugia malayi	hypothetical protein	0.0057	0.0107	0.0107
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.7225	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0078	0.0264	0.2911
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0424	0.2934	0.6187
Brugia malayi	DIX domain containing protein	0.0057	0.0107	0.0107
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.005	0.0052	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0078	0.0264	0.3379
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.1182	0.2493
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.005	0.0052	0.0297
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0089	0.0133
Toxoplasma gondii	hypothetical protein	0.0057	0.0107	0.1366
Mycobacterium ulcerans	glutaminase	0.0269	0.1742	1
Echinococcus granulosus	GPCR family 2	0.0424	0.2934	0.6187
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0264	0.2911
Brugia malayi	RNA binding protein	0.0658	0.4742	0.4742
Loa Loa (eye worm)	hypothetical protein	0.1339	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0089	0.0133
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0057	0.0107	0.0107
Brugia malayi	hypothetical protein	0.0057	0.0107	0.0107
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0089	0.0124
Echinococcus granulosus	regulator of G protein signaling 7	0.0057	0.0107	0.0225
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0424	0.2934	0.2934
Loa Loa (eye worm)	DIX domain-containing protein	0.0057	0.0107	0.0107
Echinococcus granulosus	tar DNA binding protein	0.0658	0.4742	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0089	0.0089
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0424	0.2934	0.2934
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0145	0.0782	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0057	0.0107	0.0225
Echinococcus multilocularis	isocitrate dehydrogenase	0.0145	0.0782	0.1083
Schistosoma mansoni	glutaminase	0.0269	0.1742	0.2588
Schistosoma mansoni	tar DNA-binding protein	0.0658	0.4742	0.7047
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1339	1	1
Giardia lamblia	Transcriptional regulator, Sir2 family	0.005	0.0052	0.5
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0145	0.0782	0.0782
Brugia malayi	N-terminal motif family protein	0.1168	0.8684	0.8684
Schistosoma mansoni	dishevelled	0.0057	0.0107	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0107	0.0107
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0145	0.0782	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0145	0.0782	0.1083
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0107	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0107	0.0107
Echinococcus multilocularis	regulator of G protein signaling 7	0.0057	0.0107	0.0148
Schistosoma mansoni	hypothetical protein	0.0424	0.2934	0.4359
Schistosoma mansoni	tar DNA-binding protein	0.0658	0.4742	0.7047
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0057	0.0107	0.0107
Brugia malayi	RNA recognition motif domain containing protein	0.0658	0.4742	0.4742
Toxoplasma gondii	LsmAD domain-containing protein	0.0078	0.0264	0.3379
Schistosoma mansoni	hypothetical protein	0.0915	0.6729	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0145	0.0782	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0145	0.0782	1
Schistosoma mansoni	chromatin regulatory protein sir2	0.005	0.0052	0.0077
Schistosoma mansoni	alpha-glucosidase	0.0169	0.0971	0.1442
Brugia malayi	hypothetical protein	0.005	0.0051	0.0051
Schistosoma mansoni	hypothetical protein	0.0424	0.2934	0.4359
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1339	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0658	0.4742	0.7047
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.005	0.0052	0.0297
Loa Loa (eye worm)	RNA binding protein	0.0658	0.4742	0.4742
Schistosoma mansoni	tar DNA-binding protein	0.0658	0.4742	0.7047
Schistosoma mansoni	dep domain containing protein	0.0057	0.0107	0.0159
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0089	0.0189
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0089	0.0124
Brugia malayi	TAR-binding protein	0.0658	0.4742	0.4742
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.1182	0.1182
Loa Loa (eye worm)	glutaminase	0.0269	0.1742	0.1742
Echinococcus multilocularis	regulator of G protein signaling 7	0.0057	0.0107	0.0148
Schistosoma mansoni	alpha-glucosidase	0.0169	0.0971	0.1442
Brugia malayi	Isocitrate dehydrogenase	0.0145	0.0782	0.0782
Brugia malayi	glutaminase DH11.1	0.0269	0.1742	0.1742
Echinococcus granulosus	segment polarity protein dishevelled	0.0057	0.0107	0.0225
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0145	0.0782	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0145	0.0782	1
Schistosoma mansoni	hypothetical protein	0.0424	0.2934	0.4359
Trypanosoma brucei	Silent information regulator 2 related protein 3	0.005	0.0052	0.0661
Leishmania major	hypothetical protein, conserved	0.0078	0.0264	0.3379
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0057	0.0107	0.0225
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0145	0.0782	0.1083
Brugia malayi	regulator of G-protein signaling egl-10	0.0057	0.0107	0.0107
Brugia malayi	latrophilin 2 splice variant baaae	0.0915	0.6729	0.6729
Schistosoma mansoni	tar DNA-binding protein	0.0658	0.4742	0.7047
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0145	0.0782	0.1083
Schistosoma mansoni	regulator of G protein signaling	0.0057	0.0107	0.0159
Loa Loa (eye worm)	TAR-binding protein	0.0658	0.4742	0.4742
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1182	0.1636
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.1168	0.8684	1
Loa Loa (eye worm)	hypothetical protein	0.0424	0.2934	0.2934
Schistosoma mansoni	hypothetical protein	0.0424	0.2934	0.4359
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0145	0.0782	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0145	0.0782	1
Loa Loa (eye worm)	hypothetical protein	0.1168	0.8684	0.8684
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0424	0.2934	0.406
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.005	0.0052	0.0661
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.1182	0.1182
Echinococcus multilocularis	segment polarity protein dishevelled	0.0057	0.0107	0.0148
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0089	0.0189

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference

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: CHEMBL1573166

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 1417358