TDR Targets

Basic information

Technical information

TDR Targets ID: 617579
Name: ethyl 3-carbamoyl-2-(furan-2-carbonylamino)-5 ,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxy late
MW: 363.388 | Formula: C16H17N3O5S
H donors: 2 H acceptors: 3 LogP: 1.73 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)N1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1ccco1
InChi: 1S/C16H17N3O5S/c1-2-23-16(22)19-6-5-9-11(8-19)25-15(12(9)13(17)20)18-14(21)10-4-3-7-24-10/h3-4,7H,2,5-6,8H2,1H3,(H2,17,20)(H,18,21)
InChiKey: RRUUDTNGCNGLNK-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

3-carbamoyl-2-[(2-furyl-oxomethyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
3-carbamoyl-2-(furan-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
ethyl 3-aminocarbonyl-2-(furan-2-ylcarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
ZINC04280317

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
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0493	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0493	0.1419
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3476	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.0818	0.2318
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0132	0.2678
Brugia malayi	jmjC domain containing protein	0.0071	0.0483	0.1348
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.0646	0.1129
Mycobacterium ulcerans	hypothetical protein	0.0072	0.0493	0.5
Echinococcus multilocularis	jumonji domain containing protein	0.0082	0.0608	0.0593
Brugia malayi	TAR-binding protein	0.0325	0.3476	1
Leishmania major	hypothetical protein, conserved	0.0072	0.0493	1
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.0493	1
Brugia malayi	RNA recognition motif domain containing protein	0.0325	0.3476	1
Loa Loa (eye worm)	PHD-finger family protein	0.0059	0.0337	0.097
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.1319	0.3765
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0831	0.2392
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0493	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0493	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.0757	1
Brugia malayi	Thioredoxin reductase	0.0037	0.0084	0.0195
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.0493	0.5
Schistosoma mansoni	chromobox protein	0.0068	0.0452	0.126
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3476	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0493	0.1419
Onchocerca volvulus		0.0072	0.0493	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0121	0.1074	0.3089
Echinococcus granulosus	chromobox protein 1	0.0068	0.0452	0.126
Echinococcus granulosus	PHD finger protein rhinoceros	0.0059	0.0337	0.0927
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0493	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0132	0.0869
Echinococcus granulosus	jumonji domain containing protein	0.0082	0.0608	0.171
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.0646	0.1129
Schistosoma mansoni	hypothetical protein	0.0059	0.0337	0.0927
Mycobacterium tuberculosis	Probable esterase LipL	0.0072	0.0493	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0493	0.1419
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0483	0.1348
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0493	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1319	0.3765
Echinococcus granulosus	lysine specific demethylase 5A	0.0071	0.0483	0.1348
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0452	0.8967
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0132	0.0869
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.0646	0.1129
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0447	0.1245
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0493	0.1378
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0084	0.0242
Mycobacterium tuberculosis	Probable hydrolase	0.0072	0.0493	0.0822
Mycobacterium tuberculosis	Probable reductase	0.0085	0.0646	0.1129
Plasmodium vivax	hypothetical protein, conserved	0.0059	0.0337	0.6188
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.0757	0.1353
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0084	0.0242
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3476	1
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0493	0.0822
Echinococcus multilocularis	tar DNA binding protein	0.0325	0.3476	0.3465
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.0757	0.1353
Giardia lamblia	PHD finger protein 15	0.0059	0.0337	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0493	0.0477
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.0493	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.1319	0.1305
Onchocerca volvulus		0.0072	0.0493	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0059	0.0337	0.6188
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.103	0.2962
Schistosoma mansoni	chromobox protein	0.0068	0.0452	0.126
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0493	0.1419
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.1319	0.1305
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0072	0.0493	0.0822
Mycobacterium ulcerans	lipase LipD	0.0072	0.0493	0.5
Onchocerca volvulus		0.0072	0.0493	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.009	0.0212
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0142	0.1319	0.3765
Echinococcus granulosus	chromobox protein 1	0.0068	0.0452	0.126
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.0818	0.2354
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0192	0.1911	0.1898
Brugia malayi	PHD-finger family protein	0.0059	0.0337	0.0927
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0059	0.0337	0.0321
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0085	0.0646	0.5776
Mycobacterium ulcerans	beta-lactamase	0.0072	0.0493	0.5
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0447	0.1286
Brugia malayi	beta-lactamase family protein	0.0072	0.0493	0.1378
Brugia malayi	beta-lactamase family protein	0.0072	0.0493	0.1378
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.0818	0.2318
Brugia malayi	jmjC domain containing protein	0.0192	0.1911	0.5476
Brugia malayi	beta-lactamase	0.0072	0.0493	0.1378
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0325	0.3476	1
Brugia malayi	chromobox protein homolog 3	0.0038	0.0098	0.0235
Schistosoma mansoni	jumonji domain containing protein	0.0153	0.1445	0.413
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0072	0.0493	0.0822
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0493	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0072	0.0493	0.0822
Onchocerca volvulus	Alhambra homolog	0.0059	0.0337	0.6837
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0452	0.8967
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0493	0.0822
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0072	0.0493	0.0822
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.009	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0493	0.1419
Loa Loa (eye worm)	hypothetical protein	0.01	0.0818	0.2354
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.103	0.2962
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.0483	0.0467
Brugia malayi	Heterochromatin protein 1	0.0068	0.0452	0.126
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3476	1
Brugia malayi	Bromodomain containing protein	0.0059	0.0337	0.0927
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.0646	0.1129
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0059	0.0337	0.0927
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0493	0.1419
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0493	0.1378
Echinococcus granulosus	tar DNA binding protein	0.0325	0.3476	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0337	0.097
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0493	0.1378
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0493	0.1419
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0493	0.1378
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.0757	0.1353
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0192	0.1911	0.5476
Brugia malayi	RNA binding protein	0.0325	0.3476	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0452	0.1301
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1319	0.3765
Echinococcus granulosus	peregrin	0.0059	0.0337	0.0927
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0017	0.0047
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0493	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.046	0.5061	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.0483	0.1389
Toxoplasma gondii	PHD-finger domain-containing protein	0.0059	0.0337	0.6188
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0493	0.1419
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3476	1
Plasmodium falciparum	phd finger protein, putative	0.0059	0.0337	1
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0493	0.0822
Echinococcus multilocularis	peregrin	0.0059	0.0337	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0098	0.0281
Mycobacterium tuberculosis	Probable lipase LipD	0.0072	0.0493	0.0822
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0017	0.0047
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.1319	0.3765
Toxoplasma gondii	ABC1 family protein	0.0072	0.0493	1
Schistosoma mansoni	hypothetical protein	0.0068	0.0447	0.1245
Loa Loa (eye worm)	TAR-binding protein	0.0325	0.3476	1
Trichomonas vaginalis	esterase, putative	0.0072	0.0493	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0483	0.1348
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0098	0.1981
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0142	0.1319	0.3795
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0452	0.0437
Brugia malayi	glutathione reductase	0.0037	0.0084	0.0195
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0493	1
Brugia malayi	MH2 domain containing protein	0.0117	0.103	0.2928
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1319	0.3765
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.0646	0.1129
Loa Loa (eye worm)	RNA binding protein	0.0325	0.3476	1
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0452	0.0437

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 617579