TDR Targets

Basic information

Technical information

TDR Targets ID: 1417770
Name: ethyl 2-(cyclohexanecarbonylamino)-6-ethyl-5, 7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxyl ate hydrochloride
MW: 400.963 | Formula: C19H29ClN2O3S
H donors: 1 H acceptors: 2 LogP: 5.04 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(C2)CC.Cl
InChi: 1S/C19H28N2O3S.ClH/c1-3-21-11-10-14-15(12-21)25-18(16(14)19(23)24-4-2)20-17(22)13-8-6-5-7-9-13;/h13H,3-12H2,1-2H3,(H,20,22);1H
InChiKey: SODWESVMVURXJV-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

2-[(cyclohexyl-oxomethyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxylic acid ethyl ester hydrochloride
2-(cyclohexanecarbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxylic acid ethyl ester hydrochloride
ethyl 2-(cyclohexylcarbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxylate hydrochloride

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Bromodomain containing protein	0.0095	0.4103	0.4772
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.4088	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0114	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0475	0.0518
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.4088	1
Brugia malayi	RNA binding protein	0.0066	0.2573	0.2978
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.087	0.084
Schistosoma mansoni	hypothetical protein	0.0035	0.087	0.087
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0095	0.4088	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1975	0.1975
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0475	0.1161
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0054	0.1926	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0032	0.0032
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.4088	0.4088
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0095	0.4088	0.4069
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2573	0.2573
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0178	0.8564	0.8559
Loa Loa (eye worm)	hypothetical protein	0.0075	0.3031	0.3514
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.087	0.0981
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.087	0.084
Brugia malayi	acetyltransferase, GNAT family protein	0.0178	0.8564	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0076	0.3111	0.3088
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0114	0.0095
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.2573	0.2548
Brugia malayi	PHD-finger family protein	0.0034	0.0854	0.0963
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0346	0.0368
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2573	0.2573
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.087	0.084
Loa Loa (eye worm)	bromodomain containing protein	0.0026	0.0384	0.0412
Giardia lamblia	Kinase, PLK	0.0095	0.4088	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0475	0.1161
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1975	0.1949
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.2573	0.2978
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.047	0.047
Schistosoma mansoni	hypothetical protein	0.0035	0.087	0.087
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0032	0.0079
Schistosoma mansoni	hypothetical protein	0.0075	0.3031	0.3031
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2573	0.2573
Brugia malayi	hypothetical protein	0.0027	0.0475	0.0518
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0019	0.0032	0.0079
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.4088	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0054	0.1926	1
Echinococcus multilocularis	GPCR, family 2	0.0035	0.087	0.084
Schistosoma mansoni	hypothetical protein	0.0035	0.087	0.087
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.011	0.4893	0.5697
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0114	0.0114
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.2573	0.2978
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1881	0.2166
Schistosoma mansoni	bromodomain containing protein	0.0081	0.3343	0.3343
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0095	0.4088	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0019	0.0032	0.5
Brugia malayi	Bromodomain containing protein	0.0051	0.1722	0.1981
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0095	0.4088	0.4069
Schistosoma mansoni	kinase	0.0048	0.159	0.159
Plasmodium falciparum	histone acetyltransferase GCN5	0.0047	0.1542	1
Loa Loa (eye worm)	acetyltransferase	0.0178	0.8564	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.017	0.8146	0.814
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.2573	0.2978
Echinococcus granulosus	tar DNA binding protein	0.0066	0.2573	0.2548
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0054	0.1926	0.1573
Loa Loa (eye worm)	hypothetical protein	0.0085	0.3595	0.4176
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.5957	0.6944
Leishmania major	hypothetical protein, conserved	0.0027	0.0475	0.1161
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1975	0.1949
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1975	0.1975
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.3031	0.3514
Loa Loa (eye worm)	hypothetical protein	0.011	0.4893	0.5697
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0475	0.2929
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.4088	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0095	0.4088	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2004	0.2312
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.4088	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0475	0.2929
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.047	0.0439
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1975	0.1949
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Echinococcus granulosus	GPCR family 2	0.0035	0.087	0.084
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0475	0.2335
Loa Loa (eye worm)	hypothetical protein	0.0035	0.087	0.0981
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.4088	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0032	0.0079
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0114	0.0082
Echinococcus multilocularis	geminin	0.0205	1	1
Brugia malayi	TAR-binding protein	0.0066	0.2573	0.2978
Echinococcus multilocularis	zinc finger protein	0.0028	0.0508	0.0477
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.047	0.0439
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0114	0.0082
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0019	0.0032	0.0079
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1975	0.1975
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0475	0.1161
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.4088	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.087	0.0981
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0076	0.3111	0.3088
Brugia malayi	Calcitonin receptor-like protein seb-1	0.011	0.4893	0.5697
Brugia malayi	MH2 domain containing protein	0.0129	0.5957	0.6944
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1975	0.2277
Schistosoma mansoni	hypothetical protein	0.0035	0.087	0.087
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.011	0.4893	0.5697
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2573	0.2573
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.087	0.084
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2573	0.2573
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0114	0.0082
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0114	0.0114
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0178	0.8564	0.8564
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0114	0.0082
Schistosoma mansoni	zinc finger protein	0.0028	0.0508	0.0508
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0095	0.4088	0.4754
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.1338	0.131
Brugia malayi	serine/threonine-protein kinase plk-2	0.0095	0.4088	0.4754
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1975	0.1949
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0475	0.2335
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.1338	0.131
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.087	0.0981
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0114	0.0114
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1975	0.2277
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1497	0.1716
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.4088	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.5957	0.6944
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.4088	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0054	0.1926	0.19
Echinococcus granulosus	zinc finger protein	0.0028	0.0508	0.0477
Schistosoma mansoni	hypothetical protein	0.0025	0.0346	0.0346
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0054	0.1926	1
Trypanosoma brucei	polo-like protein kinase	0.0095	0.4088	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0032	0.0079
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0054	0.1926	0.1573
Loa Loa (eye worm)	RNA binding protein	0.0066	0.2573	0.2978

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1572052

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1417770