TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 425.549 | Formula: C25H23N5S
H donors: 1 H acceptors: 2 LogP: 4.26 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: S=C(N1Cc2cnnn2c2c(C1)cc(cc2)c1ccccc1)NCCc1ccccc1
InChi: 1S/C25H23N5S/c31-25(26-14-13-19-7-3-1-4-8-19)29-17-22-15-21(20-9-5-2-6-10-20)11-12-24(22)30-23(18-29)16-27-28-30/h1-12,15-16H,13-14,17-18H2,(H,26,31)
InChiKey: FQOCGLVBQHUXGJ-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	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.058	0.1693
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3424	1
Trypanosoma cruzi	hypothetical protein	0.0007	0	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0146	0.0428
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.058	0.1693
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0146	0.0428
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0123	0.0359
Schistosoma mansoni	z-protein (S1r protein)	0.001	0.0146	0.0428
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0123	0.0359
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3424	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0146	0.0146
Schistosoma mansoni	dep domain containing protein	0.001	0.0146	0.0428
Schistosoma mansoni	dishevelled	0.001	0.0146	0.0428
Brugia malayi	TAR-binding protein	0.0076	0.3424	0.3424
Onchocerca volvulus		0.001	0.0146	0.0146
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.6776	0.6776
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.3424	1
Brugia malayi	Smad1	0.001	0.0123	0.0123
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0146	0.0146
Brugia malayi	MH1 domain containing protein	0.001	0.0123	0.0123
Brugia malayi	hypothetical protein	0.001	0.0146	0.0146
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.3424	0.3424
Loa Loa (eye worm)	hypothetical protein	0.0019	0.058	0.058
Schistosoma mansoni	Smad4	0.001	0.0123	0.0359
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Toxoplasma gondii	hypothetical protein	0.001	0.0146	0.5
Echinococcus granulosus	GPCR family 2	0.0019	0.058	0.1693
Brugia malayi	hypothetical protein	0.001	0.0146	0.0146
Brugia malayi	MH1 domain containing protein	0.001	0.0123	0.0123
Schistosoma mansoni	hypothetical protein	0.0041	0.1674	0.4889
Loa Loa (eye worm)	hypothetical protein	0.001	0.0146	0.0146
Schistosoma mansoni	smad1 5 8 and	0.001	0.0123	0.0359
Echinococcus multilocularis	GPCR, family 2	0.0019	0.058	0.1693
Brugia malayi	MH2 domain containing protein	0.001	0.0123	0.0123
Echinococcus granulosus	tar DNA binding protein	0.0076	0.3424	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.058	0.058
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0123	0.0359
Loa Loa (eye worm)	hypothetical protein	0.001	0.0146	0.0146
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0123	0.0359
Brugia malayi	MH2 domain containing protein	0.0144	0.6776	0.6776
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0146	0.0428
Brugia malayi	regulator of G-protein signaling egl-10	0.001	0.0146	0.0146
Schistosoma mansoni	regulator of G protein signaling	0.001	0.0146	0.0428
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0007	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.058	0.1693
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0146	0.0428
Loa Loa (eye worm)	DIX domain-containing protein	0.001	0.0146	0.0146
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.3424	0.3424
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1674	0.1674
Trypanosoma cruzi	guanine nucleotide releasing protein, putative	0.0007	0	0.5
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.001	0.0146	0.0146
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0146	0.0428
Schistosoma mansoni	smad1 5 8 and	0.001	0.0123	0.0359
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.3424	0.3424
Loa Loa (eye worm)	RNA binding protein	0.0076	0.3424	0.3424
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.0123	0.0123
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.058	0.058
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0146	0.0428
Echinococcus granulosus	Pleckstrin G protein interacting region	0.001	0.0146	0.0428
Schistosoma mansoni	dishevelled	0.001	0.0146	0.0428
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.0123	0.0123
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0146	0.0428
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.058	0.058
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2617	0.2617
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3424	1
Loa Loa (eye worm)	hypothetical protein	0.0209	1	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Echinococcus multilocularis	smad	0.001	0.0123	0.0359
Echinococcus granulosus	smad	0.001	0.0123	0.0359
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.6776	0.6776
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.058	0.1693
Echinococcus granulosus	Smad4	0.001	0.0123	0.0359
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.058	0.1693
Schistosoma mansoni	smad1 5 8 and	0.001	0.0123	0.0359
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.001	0.0146	0.0428
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0209	1	1
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.001	0.0146	0.0428
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3424	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0123	0.0359
Loa Loa (eye worm)	hypothetical protein	0.006	0.2617	0.2617
Echinococcus multilocularis	Smad4	0.001	0.0123	0.0359
Brugia malayi	DIX domain containing protein	0.001	0.0146	0.0146
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0007	0	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.058	0.1693
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2617	0.2617
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0007	0	0.5
Schistosoma mansoni	smad	0.001	0.0123	0.0359
Entamoeba histolytica	hypothetical protein	0.0007	0	0.5
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0007	0	0.5
Loa Loa (eye worm)	Smad1	0.001	0.0123	0.0123
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2617	0.2617
Brugia malayi	MH2 domain containing protein	0.001	0.0123	0.0123
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0146	0.0146
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0146	0.0428
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3424	1
Trypanosoma cruzi	hypothetical protein	0.0007	0	0.5
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.001	0.0146	0.0146
Brugia malayi	RNA binding protein	0.0076	0.3424	0.3424
Schistosoma mansoni	hypothetical protein	0.0019	0.058	0.1693
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1674	0.1674
Schistosoma mansoni	hypothetical protein	0.0019	0.058	0.1693

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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: CHEMBL1889698

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 1540007