TDR Targets

Basic information

Technical information

TDR Targets ID: 1472441
Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-th ieno[5,4-c]pyridin-2-yl]acetamide
MW: 311.401 | Formula: C17H17N3OS
H donors: 1 H acceptors: 2 LogP: 2.78 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(NC(=O)C)sc2c1CCN(C2)Cc1ccccc1
InChi: 1S/C17H17N3OS/c1-12(21)19-17-15(9-18)14-7-8-20(11-16(14)22-17)10-13-5-3-2-4-6-13/h2-6H,7-8,10-11H2,1H3,(H,19,21)
InChiKey: FFBNEQHODSFPFD-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-[6-(benzyl)-3-cyano-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]acetamide
N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]ethanamide
Oprea1_705513

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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0075	0.0279	0.8429
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0075	0.0279	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0075	0.0279	0.8429
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0004	0.0004
Echinococcus multilocularis	RUN	0.002	0.0004	0.0004
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0279	1
Onchocerca volvulus		0.0075	0.0279	0.8408
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0004	0.0004
Leishmania major	cathepsin L-like protease	0.0063	0.022	0.7871
Giardia lamblia	Hypothetical protein	0.0075	0.0279	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0004	0.0004
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0075	0.0279	0.0279
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.0195	0.0195
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0004	0.0004
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0075	0.0279	1
Brugia malayi	Cytochrome P450 family protein	0.0045	0.0129	0.3898
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0075	0.0279	0.8429
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.022	0.7871
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Plasmodium falciparum	potassium channel	0.0075	0.0279	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Onchocerca volvulus		0.0075	0.0279	0.8408
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0086	0.0331	0.0331
Echinococcus granulosus	microtubule associated protein 2	0.0683	0.3276	0.3276
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Onchocerca volvulus		0.0075	0.0279	0.8408
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0075	0.0279	0.8429
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.0195	0.0195
Onchocerca volvulus		0.0075	0.0279	0.8408
Echinococcus granulosus	twik family of potassium channels	0.0075	0.0279	0.0279
Plasmodium vivax	potassium channel, putative	0.0075	0.0279	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Toxoplasma gondii	ion channel protein	0.0075	0.0279	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Onchocerca volvulus		0.0075	0.0279	0.8408
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0075	0.0279	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0075	0.0279	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0075	0.0279	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0004	0.0159
Onchocerca volvulus		0.0086	0.0331	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Schistosoma mansoni	jumonji domain containing protein	0.0058	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.0153	0.5482
Echinococcus granulosus	calcium activated potassium channel variant	0.0075	0.0279	0.0279
Schistosoma mansoni	hypothetical protein	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Schistosoma mansoni	microtubule-associated protein tau	0.0683	0.3276	0.3276
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0075	0.0279	1
Brugia malayi	hypothetical protein	0.002	0.0004	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Onchocerca volvulus		0.0075	0.0279	0.8408
Brugia malayi	Doublecortin family protein	0.002	0.0004	0.0134
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0075	0.0279	0.8429
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0075	0.0279	0.0279
Trypanosoma cruzi	ion transport protein, putative	0.0075	0.0279	1
Plasmodium vivax	potassium channel, putative	0.0075	0.0279	1
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0004	0.0004
Schistosoma mansoni	lipoxygenase	0.0055	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0075	0.0279	0.8429
Schistosoma mansoni	twik family of potassium channels-related	0.0075	0.0279	0.0279
Loa Loa (eye worm)	uncoordinated protein 58	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0075	0.0279	0.8429
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Schistosoma mansoni	twik family of potassium channels-related	0.0075	0.0279	0.0279
Leishmania major	calcium/potassium channel (CAKC), putative	0.0075	0.0279	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0075	0.0279	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0075	0.0279	0.8429
Schistosoma mansoni	calcium-activated potassium channel	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0773	0.372	0.372
Loa Loa (eye worm)	hypothetical protein	0.2046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.022	0.7871
Schistosoma mansoni	hypothetical protein	0.2046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Schistosoma mansoni	twik family of potassium channels-related	0.0075	0.0279	0.0279
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0075	0.0279	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0004	0.0004
Brugia malayi	hypothetical protein	0.002	0.0004	0.0134
Echinococcus multilocularis	microtubule associated protein 2	0.0683	0.3276	0.3276
Schistosoma mansoni	calcium-activated potassium channel	0.0075	0.0279	0.0279
Schistosoma mansoni	twik family of potassium channels-related	0.0075	0.0279	0.0279
Onchocerca volvulus		0.0075	0.0279	0.8408
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Brugia malayi	jmjC domain containing protein	0.0058	0.0195	0.59
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.0195	0.0195
Schistosoma mansoni	twik family of potassium channels-related	0.0075	0.0279	0.0279
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0075	0.0279	0.8429
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0075	0.0279	0.8429
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0004	0.0004
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0075	0.0279	0.8429
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.022	0.7871
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0075	0.0279	1
Loa Loa (eye worm)	hypothetical protein	0.0504	0.2396	0.2396
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.022	0.7871
Mycobacterium ulcerans	transmembrane cation transporter	0.0075	0.0279	1
Echinococcus granulosus	potassium channel subfamily K 8	0.0075	0.0279	0.0279
Onchocerca volvulus		0.0075	0.0279	0.8408
Echinococcus multilocularis	potassium channel subfamily K 8	0.0075	0.0279	0.0279
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0075	0.0279	0.8429
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.0193	0.6903
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0075	0.0279	1
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0075	0.0279	0.0279
Leishmania major	cathepsin L-like protease	0.0063	0.022	0.7871
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0075	0.0279	0.0279
Plasmodium falciparum	potassium channel	0.0075	0.0279	1
Echinococcus multilocularis	potassium channel subfamily K	0.0075	0.0279	0.0279
Toxoplasma gondii	ion channel protein	0.0075	0.0279	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0331	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Schistosoma mansoni	calcium-activated potassium channel	0.2046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Echinococcus granulosus	twik family of potassium channels	0.0075	0.0279	0.0279
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Schistosoma mansoni	calcium-activated potassium channel	0.1466	0.7142	0.7142
Leishmania major	potassium channel subunit-like protein	0.0075	0.0279	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0045	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0075	0.0279	0.8429
Brugia malayi	jmjC domain containing protein	0.0058	0.0195	0.59
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0058	0.0195	0.0195
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0075	0.0279	0.8429
Schistosoma mansoni	rab6-interacting	0.002	0.0004	0.0004
Echinococcus granulosus	lysine specific demethylase 5A	0.0058	0.0195	0.0195
Schistosoma mansoni	polycystin 1-related	0.002	0.0004	0.0004
Echinococcus multilocularis	lysine specific demethylase 5A	0.0058	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0058	0.0195	0.0195
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0075	0.0279	0.0279
Leishmania major	ion transport protein-like protein	0.0075	0.0279	1
Schistosoma mansoni	twik family of potassium channels-related	0.0075	0.0279	0.0279
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0075	0.0279	0.8429
Schistosoma mansoni	twik family of potassium channels-related	0.0075	0.0279	0.0279
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0075	0.0279	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0075	0.0279	0.8429
Echinococcus granulosus	potassium channel subfamily K	0.0075	0.0279	0.0279
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0086	0.0331	0.0331
Schistosoma mansoni	twik family of potassium channels-related	0.0075	0.0279	0.0279
Echinococcus granulosus	RUN	0.002	0.0004	0.0004
Echinococcus multilocularis	potassium channel subfamily K 8	0.0075	0.0279	0.0279
Mycobacterium ulcerans	ion transport protein	0.0075	0.0279	1
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0004	0.0159
Leishmania major	hypothetical protein, conserved	0.0075	0.0279	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.022	0.7871
Brugia malayi	hypothetical protein	0.0075	0.0279	0.8429
Schistosoma mansoni	rab6-interacting	0.002	0.0004	0.0004
Onchocerca volvulus		0.0078	0.0293	0.8848
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Schistosoma mansoni	lipoxygenase	0.002	0.0004	0.0004
Leishmania major	cathepsin L-like protease	0.0063	0.022	0.7871
Brugia malayi	Trypsin family protein	0.0086	0.0331	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.0178	0.0178
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0279	1
Echinococcus multilocularis	twik family of potassium channels	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0075	0.0279	1
Schistosoma mansoni	hypothetical protein	0.002	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0694	0.3329	0.3329
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Echinococcus granulosus	potassium channel subfamily K 8	0.0075	0.0279	0.0279
Loa Loa (eye worm)	TWK-28 protein	0.0075	0.0279	0.0279
Echinococcus multilocularis	small conductance calcium activated potassium	0.2046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Loa Loa (eye worm)	TWK-7 protein	0.0075	0.0279	0.0279
Brugia malayi	hypothetical protein	0.0075	0.0279	0.8429
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0075	0.0279	0.0279
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0075	0.0279	0.8429
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0	0.5
Leishmania major	hypothetical protein, conserved	0.0075	0.0279	1
Schistosoma mansoni	loxhd1	0.002	0.0004	0.0004
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0075	0.0279	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0279	0.0279
Echinococcus multilocularis	calcium activated potassium channel variant	0.0075	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0331	0.0331
Echinococcus multilocularis	twik family of potassium channels	0.0075	0.0279	0.0279
Trypanosoma cruzi	ion transport protein, putative	0.0075	0.0279	1

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: CHEMBL1624439

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 1472441