TDR Targets

Basic information

Technical information

TDR Targets ID: 617631
Name: 6-acetyl-2-[[(E)-3-phenylprop-2-enoyl]amino]- 5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carbox amide
MW: 369.437 | Formula: C19H19N3O3S
H donors: 2 H acceptors: 3 LogP: 1.99 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1sc2c(c1C(=O)N)CCN(C2)C(=O)C)C=Cc1ccccc1
InChi: 1S/C19H19N3O3S/c1-12(23)22-10-9-14-15(11-22)26-19(17(14)18(20)25)21-16(24)8-7-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H2,20,25)(H,21,24)/b8-7+
InChiKey: IYDILVPOFBPERI-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

6-acetyl-2-(3-phenylprop-2-enoylamino)-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
6-acetyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
6-acetyl-2-[(1-oxo-3-phenylprop-2-enyl)amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
6-acetyl-2-[[(E)-3-phenylacryloyl]amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
6-acetyl-2-[(3-phenylacryloyl)amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
6-ethanoyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
6-ethanoyl-2-(3-phenylprop-2-enoylamino)-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
ZINC04280378
IFLab1_005469
IDI1_010872

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
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.0674	0.1088
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0103	0.0371
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.0547	0.1981
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0782	0.283
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2764	1
Mycobacterium ulcerans	lipase LipD	0.0074	0.0547	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0093	0.0335
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0547	0.5
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0075	0.0075
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0547	0.0849
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2764	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0547	0.1981
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.0547	0.1981
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.0547	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0474	0.5409	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.1069	0.3868
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0782	0.283
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.0674	0.1088
Brugia malayi	glutathione reductase	0.0037	0.0096	0.0349
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0075	0.027
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0547	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0253	0.0917
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.0782	0.283
Brugia malayi	MH2 domain containing protein	0.0117	0.1069	0.3868
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0256	0.2764	1
Brugia malayi	Thioredoxin reductase	0.0037	0.0096	0.0349
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.0674	0.1088
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0096	0.1762
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.1069	0.3868
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0096	0.1762
Loa Loa (eye worm)	hypothetical protein	0.0054	0.03	0.1084
Onchocerca volvulus		0.0074	0.0547	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0547	0.1981
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0547	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.0547	0.0849
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0547	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.0547	0.0849
Trichomonas vaginalis	esterase, putative	0.0074	0.0547	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.0547	0.0849
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0547	0.1981
Brugia malayi	beta-lactamase family protein	0.0074	0.0547	0.1981
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0782	0.283
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.0782	0.283
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2764	1
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2764	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0093	0.0335
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.0807	0.2919
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0547	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.0807	0.0807
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.0547	0.0849
Brugia malayi	jmjC domain containing protein	0.0035	0.0075	0.027
Leishmania major	hypothetical protein, conserved	0.0074	0.0547	1
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0547	0.0849
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.03	0.1084
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0075	0.027
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0547	0.1981
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0547	0.1981
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.03	0.1084
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.0674	0.1088
Brugia malayi	RNA binding protein	0.0256	0.2764	1
Schistosoma mansoni	tar DNA-binding protein	0.0256	0.2764	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0782	0.0782
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.0789	0.1304
Brugia malayi	beta-lactamase	0.0074	0.0547	0.1981
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.0547	0.0547
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.0547	0.5
Toxoplasma gondii	ABC1 family protein	0.0074	0.0547	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0378	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0547	0.1981
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0139	0.0502
Onchocerca volvulus		0.0074	0.0547	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.0547	0.0849
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0547	0.0849
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0547	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0547	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0093	0.0335
Brugia malayi	beta-lactamase family protein	0.0074	0.0547	0.1981
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.0789	1
Echinococcus multilocularis	tar DNA binding protein	0.0256	0.2764	0.2764
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.0547	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0075	0.027
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0096	0.0349
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0096	0.0349
Mycobacterium tuberculosis	Probable reductase	0.0085	0.0674	0.1088
Brugia malayi	TAR-binding protein	0.0256	0.2764	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0782	0.283
Brugia malayi	RNA recognition motif domain containing protein	0.0256	0.2764	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0085	0.0674	0.5251
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.03	0.1084
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0547	0.1981
Loa Loa (eye worm)	TAR-binding protein	0.0256	0.2764	1
Giardia lamblia	PHD finger protein 15	0.0029	0	0.5
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0096	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.0789	0.1304
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.0547	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0782	0.283
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0568	0.2055
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0096	0.1762
Echinococcus granulosus	tar DNA binding protein	0.0256	0.2764	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0547	0.1981
Plasmodium falciparum	glutathione reductase	0.0037	0.0096	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.0547	0.1981
Mycobacterium ulcerans	beta-lactamase	0.0074	0.0547	0.5
Onchocerca volvulus		0.0074	0.0547	1
Loa Loa (eye worm)	beta-lactamase	0.0074	0.0547	0.1981
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.0547	0.0849
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.0789	0.1304
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0075	0.027
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0139	0.0139
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0103	0.0103
Mycobacterium ulcerans	hypothetical protein	0.0074	0.0547	0.5
Brugia malayi	jmjC domain containing protein	0.0096	0.0807	0.2919
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0782	0.0782
Loa Loa (eye worm)	RNA binding protein	0.0256	0.2764	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.0674	0.1088
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.0547	0.0849

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.

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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 617631