TDR Targets

Basic information

Technical information

TDR Targets ID: 616436
Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-th ieno[5,4-c]pyridin-2-yl]-2,4-dimethoxybenzami de
MW: 433.523 | Formula: C24H23N3O3S
H donors: 1 H acceptors: 2 LogP: 4.38 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(sc2c1CCN(C2)Cc1ccccc1)NC(=O)c1ccc(cc1OC)OC
InChi: 1S/C24H23N3O3S/c1-29-17-8-9-19(21(12-17)30-2)23(28)26-24-20(13-25)18-10-11-27(15-22(18)31-24)14-16-6-4-3-5-7-16/h3-9,12H,10-11,14-15H2,1-2H3,(H,26,28)
InChiKey: HEYHVICZLKZLHL-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

N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]-2,4-dimethoxy-benzamide
N-[6-(benzyl)-3-cyano-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]-2,4-dimethoxy-benzamide
Oprea1_836183

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
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0123	0.2396	1
Echinococcus granulosus	chromobox protein 1	0.0068	0.103	0.071
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0345	0.0587
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0041	0.0345	0.0587
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0621	0.0358
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0144	0.291	0.3871
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0041	0.0345	0.0587
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0444	0.048
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.103	0.2065
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0041	0.0345	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0345	0.0587
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0144	0.291	0.3871
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0094	0.1664	0.3432
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0345	0.0587
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.1664	0.1959
Brugia malayi	Steroid receptor seven-up type 2	0.0041	0.0345	0.0148
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.1664	0.6435
Brugia malayi	steroid hormone receptor	0.0041	0.0345	0.0148
Trypanosoma brucei	polo-like protein kinase	0.0094	0.1664	0.1959
Onchocerca volvulus	Protein ultraspiracle homolog	0.0041	0.0345	0.0587
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0352	0.0603
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.1664	0.1959
Loa Loa (eye worm)	steroid hormone receptor	0.0041	0.0345	0.0587
Mycobacterium tuberculosis	Conserved hypothetical protein	0.016	0.3316	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0041	0.0345	0.0587
Onchocerca volvulus		0.0041	0.0345	0.0587
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0123	0.2396	0.2124
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0304	0.6904	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0444	0.048
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0041	0.0345	0.0587
Echinococcus multilocularis	FTZ F1 alpha	0.0123	0.2396	1
Giardia lamblia	Kinase, PLK	0.0094	0.1664	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0041	0.0345	0.0587
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0345	0.0148
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0444	0.048
Brugia malayi	serine/threonine-protein kinase plk-2	0.0094	0.1664	0.3125
Toxoplasma gondii	hypothetical protein	0.0049	0.0545	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0444	0.08
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0041	0.0345	0.0148
Schistosoma mansoni	kinase	0.0048	0.0512	0.0816
Schistosoma mansoni	chromobox protein	0.0068	0.103	0.3342
Brugia malayi	Cytochrome P450 family protein	0.0049	0.0546	0.0602
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.0345	0.0148
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1664	1
Loa Loa (eye worm)	hypothetical protein	0.0123	0.2396	0.5008
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0345	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0041	0.0345	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0345	0.0587
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.028	0.0446
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1664	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0041	0.0345	0.0148
Onchocerca volvulus	Bile acid receptor homolog	0.0216	0.4711	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0041	0.0345	0.0148
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.103	0.6191
Echinococcus multilocularis	chromobox protein 1	0.0068	0.103	0.3342
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0345	0.0587
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0094	0.1664	0.3432
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.103	0.6191
Echinococcus multilocularis	chromobox protein 1	0.0068	0.103	0.3342
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0444	0.048
Brugia malayi	nuclear receptor NHR-88	0.0041	0.0345	0.0148
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0444	0.048
Brugia malayi	Heterochromatin protein 1	0.0068	0.103	0.1694
Schistosoma mansoni	hypothetical protein	0.0082	0.1372	0.501
Brugia malayi	photoreceptor-specific nuclear receptor	0.0041	0.0345	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0345	0.0587
Mycobacterium ulcerans	hypothetical protein	0.016	0.3316	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0123	0.2396	0.4775
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0482	0.2893
Brugia malayi	nuclear hormone receptor	0.0041	0.0345	0.0148
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0304	0.6904	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0041	0.0345	0.0587
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0304	0.6904	1
Loa Loa (eye worm)	hypothetical protein	0.0216	0.4711	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0352	0.2117
Loa Loa (eye worm)	hypothetical protein	0.0038	0.028	0.0446
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0352	0.2117
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0444	0.037
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1664	1
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.028	0.168
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0094	0.1664	0.6435
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0041	0.0345	0.0148
Brugia malayi	ecdysteroid receptor	0.0216	0.4711	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0041	0.0345	0.0148
Schistosoma mansoni	chromobox protein	0.0068	0.103	0.3342
Loa Loa (eye worm)	cytochrome P450 family protein	0.0049	0.0546	0.1021
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1664	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0041	0.0345	0.0148
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1664	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0444	0.0102
Leishmania major	mitochondrial DNA polymerase beta	0.0304	0.6904	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0041	0.0345	0.0587
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1664	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.1664	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0094	0.1664	0.1367
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0094	0.1664	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0123	0.2396	1
Echinococcus granulosus	chromobox protein 1	0.0068	0.103	0.071
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0144	0.291	0.2378
Brugia malayi	Nuclear hormone receptor-like 1	0.0041	0.0345	0.0148
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0482	0.2893
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.0345	0.0148
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.028	0.168
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0444	0.0102
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0123	0.2396	0.4775

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 616436