TDR Targets

Basic information

Technical information

TDR Targets ID: 617632
Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[5,4 -c]pyridin-2-yl)-3-phenylprop-2-enamide
MW: 351.422 | Formula: C19H17N3O2S
H donors: 1 H acceptors: 3 LogP: 2.83 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(NC(=O)C=Cc2ccccc2)sc2c1CCN(C2)C(=O)C
InChi: 1S/C19H17N3O2S/c1-13(23)22-10-9-15-16(11-20)19(25-17(15)12-22)21-18(24)8-7-14-5-3-2-4-6-14/h2-8H,9-10,12H2,1H3,(H,21,24)/b8-7+
InChiKey: HLBRVBZTAMXDNZ-BQYQJAHWSA-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

(E)-N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl)-3-phenyl-prop-2-enamide
(E)-N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl)-3-phenyl-prop-2-enamide
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl)-3-phenyl-acrylamide
(E)-N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl)-3-phenyl-acrylamide
N-(3-cyano-6-ethanoyl-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl)-3-phenyl-prop-2-enamide
(E)-N-(3-cyano-6-ethanoyl-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl)-3-phenyl-prop-2-enamide
ZINC04275186
IFLab1_005295
IDI1_010698

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
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0123	0.0361
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.0146	1
Brugia malayi	glutathione reductase	0.0038	0.0146	0.044
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0804	0.2707
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0123	0.2373
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2919	1
Plasmodium falciparum	thioredoxin reductase	0.0038	0.0146	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0039	0.0153	0.0463
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.052	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0804	0.2707
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0275	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0123	0.0361
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0123	0.5
Onchocerca volvulus		0.003	0.0037	0.1137
Echinococcus granulosus	tar DNA binding protein	0.0256	0.2919	1
Toxoplasma gondii	thioredoxin reductase	0.0038	0.0146	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0097	0.0897	0.308
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0804	0.0787
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.008	0.021
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0141	0.2714
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0123	0.0361
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0123	0.0361
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0123	0.0361
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0088	0.0772	0.2585
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2919	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0804	0.2707
Loa Loa (eye worm)	glutathione reductase	0.0038	0.0146	0.044
Echinococcus granulosus	chromobox protein 1	0.0068	0.052	0.1729
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0275	0.0883
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0123	0.8213
Giardia lamblia	PHD finger protein 15	0.0028	0.0019	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.12	0.4072
Schistosoma mansoni	chromobox protein	0.0068	0.052	0.1729
Brugia malayi	beta-lactamase family protein	0.0037	0.0123	0.0361
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0095	0.0076
Mycobacterium ulcerans	lipase LipD	0.0037	0.0123	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0123	0.0361
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0123	0.0361
Mycobacterium tuberculosis	Probable reductase	0.0088	0.0772	0.2585
Echinococcus granulosus	chromobox protein 1	0.0068	0.052	0.1729
Brugia malayi	beta-lactamase	0.0037	0.0123	0.0361
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0123	0.0361
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0095	0.0262
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0088	0.0772	0.8391
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0178	0.3419
Loa Loa (eye worm)	RNA binding protein	0.0256	0.2919	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0804	0.2707
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0804	0.0787
Plasmodium falciparum	glutathione reductase	0.0038	0.0146	1
Brugia malayi	TAR-binding protein	0.0256	0.2919	1
Loa Loa (eye worm)	TAR-binding protein	0.0256	0.2919	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0088	0.0772	0.2585
Mycobacterium tuberculosis	Probable dehydrogenase	0.0088	0.0772	0.2585
Toxoplasma gondii	ABC1 family protein	0.0037	0.0123	0.8213
Trichomonas vaginalis	esterase, putative	0.0037	0.0123	0.2373
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.016	0.0487
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0403	0.1325
Trypanosoma cruzi	trypanothione reductase, putative	0.0038	0.0146	1
Echinococcus multilocularis	chromobox protein 1	0.0068	0.052	0.0503
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0256	0.2919	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0804	0.2707
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0123	0.2373
Plasmodium vivax	glutathione reductase, putative	0.0038	0.0146	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.0146	0.0091
Brugia malayi	Thioredoxin reductase	0.0038	0.0146	0.044
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0276	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0123	0.0361
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0123	0.2373
Schistosoma mansoni	chromobox protein	0.0068	0.052	0.1729
Trypanosoma brucei	trypanothione reductase	0.0038	0.0146	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0234	0.2634	1
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.0146	0.044
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0123	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0088	0.0772	0.2585
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0123	0.0361
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0141	0.7695
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0275	0.0883
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0093	0.084	0.0823
Brugia malayi	RNA binding protein	0.0256	0.2919	1
Brugia malayi	jmjC domain containing protein	0.0034	0.0095	0.0262
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0123	0.2373
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0275	0.0883
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2919	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0095	0.0262
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0039	0.0153	0.0134
Onchocerca volvulus		0.0037	0.0123	0.6582
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0178	0.3419
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.12	0.4072
Loa Loa (eye worm)	hypothetical protein	0.0033	0.008	0.021
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0088	0.0772	0.2585
Leishmania major	trypanothione reductase	0.0038	0.0146	1
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2919	1
Onchocerca volvulus		0.0037	0.0123	0.6582
Brugia malayi	chromobox protein homolog 3	0.0038	0.0141	0.0423
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0097	0.0897	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0123	0.0361
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0141	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0123	0.0361
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0804	0.2707
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0123	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0123	0.2373
Onchocerca volvulus		0.0037	0.0123	0.6582
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0178	1
Brugia malayi	jmjC domain containing protein	0.0093	0.084	0.2831
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0123	0.5
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0097	0.0897	0.308
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0141	0.2714
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0123	0.0361
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.052	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0095	0.0262
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.0095	0.0262
Brugia malayi	MH2 domain containing protein	0.0121	0.12	0.4072
Brugia malayi	Heterochromatin protein 1	0.0068	0.052	0.1729
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2919	1
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.0597	0.1993
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0123	0.0105
Echinococcus multilocularis	chromobox protein 1	0.0068	0.052	0.0503
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.016	0.0142
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.052	0.1729
Loa Loa (eye worm)	hypothetical protein	0.003	0.0037	0.0062
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0804	0.2707
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0093	0.084	0.2831
Echinococcus multilocularis	tar DNA binding protein	0.0256	0.2919	0.2906
Schistosoma mansoni	hypothetical protein	0.0033	0.008	0.021
Brugia malayi	RNA recognition motif domain containing protein	0.0256	0.2919	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0097	0.0897	0.308

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 617632