TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 284.379 | Formula: C15H16N4S
H donors: 0 H acceptors: 3 LogP: 4.34 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: C1CCC(CC1)c1nnn(c1)c1nc2c(s1)cccc2
InChi: 1S/C15H16N4S/c1-2-6-11(7-3-1)13-10-19(18-17-13)15-16-12-8-4-5-9-14(12)20-15/h4-5,8-11H,1-3,6-7H2
InChiKey: YNIUGRLCJOJQCX-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196

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	0.0213	0.8495	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0059	0.025	0.0263
Schistosoma mansoni	factor for adipocyte differentiation	0.0059	0.025	0.0263
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0059	0.025	0.5
Echinococcus granulosus	neuroglian	0.0164	0.5843	0.5736
Loa Loa (eye worm)	hypothetical protein	0.0183	0.6851	0.8006
Echinococcus granulosus	titin	0.0068	0.0747	0.0509
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0213	0.8495	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0068	0.0747	0.0602
Echinococcus granulosus	twitchin	0.0164	0.5843	0.5736
Schistosoma mansoni	protein tyrosine phosphatase	0.0059	0.025	0.0263
Echinococcus multilocularis	Immunoglobulin	0.0154	0.5347	0.5227
Echinococcus granulosus	neuroglian	0.0087	0.1755	0.1543
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8495	1
Loa Loa (eye worm)	projectin	0.0068	0.0747	0.0602
Onchocerca volvulus		0.0068	0.0747	1
Echinococcus granulosus	nephrin	0.0068	0.0747	0.0509
Echinococcus multilocularis	Immunoglobulin	0.0154	0.5347	0.5227
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5347	0.6181
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0078	0.1258	0.1034
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0087	0.1755	0.1825
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0059	0.025	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0068	0.0747	0.0602
Schistosoma mansoni	hypothetical protein	0.0059	0.025	0.0263
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0068	0.0747	0.0602
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0085	0.1644	0.143
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0068	0.0747	0.0602
Schistosoma mansoni	serine/threonine protein kinase	0.0068	0.0747	0.0786
Schistosoma mansoni	cell adhesion molecule	0.0232	0.9503	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0085	0.1644	0.143
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5347	0.6181
Echinococcus multilocularis	roundabout 2	0.0241	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0087	0.1755	0.1825
Schistosoma mansoni	titin	0.0068	0.0747	0.0786
Schistosoma mansoni	cell adhesion molecule	0.0068	0.0747	0.0786
Schistosoma mansoni	hypothetical protein	0.0068	0.0747	0.0786
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0087	0.1755	0.1543
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0154	0.5347	0.5626
Schistosoma mansoni	hemicentin	0.0068	0.0747	0.0786
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0068	0.0747	0.0602
Schistosoma mansoni	myosin-binding protein-related	0.0068	0.0747	0.0786
Schistosoma mansoni	cell adhesion molecule	0.0068	0.0747	0.0786
Onchocerca volvulus		0.0068	0.0747	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0747	0.0602
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0317	0.0081
Brugia malayi	hypothetical protein	0.0213	0.8495	1
Echinococcus multilocularis	neuroglian	0.0164	0.5843	0.5736
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0087	0.1755	0.1825
Schistosoma mansoni	factor for adipocyte differentiation	0.0059	0.025	0.0263
Schistosoma mansoni	titin	0.0059	0.025	0.0263
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0078	0.1258	0.1034
Schistosoma mansoni	cell adhesion molecule	0.0087	0.1755	0.1846
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0078	0.1258	0.1223
Leishmania major	hypothetical protein, conserved	0.0059	0.025	0.5
Echinococcus granulosus	titin	0.0068	0.0747	0.0509
Schistosoma mansoni	hypothetical protein	0.0059	0.025	0.0263
Echinococcus granulosus	defective proboscis extension response	0.0154	0.5347	0.5227
Loa Loa (eye worm)	hypothetical protein	0.0173	0.6355	0.7403
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0068	0.0747	0.0602
Brugia malayi	protein unc-22	0.0068	0.0747	0.0602
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0199	0.7749	0.9094
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0087	0.1755	0.1846
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0317	0.0081
Schistosoma mansoni	nephrin	0.0223	0.8992	0.9462
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0068	0.0747	0.0602
Echinococcus granulosus	Immunoglobulin	0.0154	0.5347	0.5227
Schistosoma mansoni	nephrin	0.0087	0.1755	0.1846
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0087	0.1755	0.1543
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0087	0.1755	0.1825
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0059	0.025	0.0263
Trypanosoma cruzi	hypothetical protein, conserved	0.0059	0.025	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0087	0.1755	0.1543
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0068	0.0747	0.0509
Schistosoma mansoni	cell adhesion molecule	0.0087	0.1755	0.1846
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0747	0.0602
Schistosoma mansoni	titin	0.0068	0.0747	0.0786
Schistosoma mansoni	neuroglian	0.0087	0.1755	0.1846
Brugia malayi	Fibronectin type III domain containing protein	0.0213	0.8495	1
Echinococcus multilocularis	roundabout 2	0.0087	0.1755	0.1543
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0173	0.6355	0.6261
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5347	0.6181
Echinococcus multilocularis	roundabout 2	0.0087	0.1755	0.1543
Echinococcus granulosus	roundabout 2	0.0087	0.1755	0.1543
Schistosoma mansoni	vesicular amine transporter	0.0154	0.5347	0.5626
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0154	0.5347	0.5227
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0087	0.1755	0.1543
Echinococcus multilocularis	transfer RNA-Phe	0.0068	0.0747	0.0509
Schistosoma mansoni	factor for adipocyte differentiation	0.0059	0.025	0.0263
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0059	0.025	0.0263
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0068	0.0747	0.0602
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0068	0.0747	0.0602
Echinococcus granulosus	roundabout 2	0.0087	0.1755	0.1543
Onchocerca volvulus		0.0068	0.0747	1
Loa Loa (eye worm)	hypothetical protein	0.0213	0.8495	1
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0059	0.025	0.5
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0087	0.1755	0.1825
Schistosoma mansoni	ephrin receptor	0.0085	0.1644	0.173
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0068	0.0747	0.0602
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1755	0.1825
Loa Loa (eye worm)	CAMK protein kinase	0.0068	0.0747	0.0602
Schistosoma mansoni	tripartite motif protein trim9	0.0059	0.025	0.0263
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0199	0.7749	0.9094
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0059	0.025	0.0263
Loa Loa (eye worm)	hypothetical protein	0.006	0.0317	0.0081
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0078	0.1258	0.1223
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0087	0.1755	0.1543
Echinococcus multilocularis	neuroglian	0.0087	0.1755	0.1543
Loa Loa (eye worm)	hypothetical protein	0.0183	0.6851	0.8006
Echinococcus granulosus	contactin	0.0087	0.1755	0.1543
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0154	0.5347	0.5626
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0317	0.0081
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0068	0.0747	0.0602
Echinococcus multilocularis	titin	0.0068	0.0747	0.0509

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	125.8925 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	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: CHEMBL2355049

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 1753729