TDR Targets

Basic information

Technical information

TDR Targets ID: 1458899
Name: 4,6-dimethyl-N-(3-piperidin-1-ylpropyl)-3-pyr rol-1-ylthieno[5,4-b]pyridine-2-carboxamide
MW: 396.549 | Formula: C22H28N4OS
H donors: 1 H acceptors: 2 LogP: 4.22 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C)c2c(n1)sc(c2n1cccc1)C(=O)NCCCN1CCCCC1
InChi: 1S/C22H28N4OS/c1-16-15-17(2)24-22-18(16)19(26-13-6-7-14-26)20(28-22)21(27)23-9-8-12-25-10-4-3-5-11-25/h6-7,13-15H,3-5,8-12H2,1-2H3,(H,23,27)
InChiKey: YTGSNBQNSZVABJ-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

4,6-dimethyl-N-[3-(1-piperidyl)propyl]-3-pyrrol-1-yl-thieno[5,4-b]pyridine-2-carboxamide
4,6-dimethyl-N-[3-(1-piperidyl)propyl]-3-(1-pyrrolyl)-2-thieno[5,4-b]pyridinecarboxamide
4,6-dimethyl-N-(3-piperidinopropyl)-3-pyrrol-1-yl-thieno[5,4-b]pyridine-2-carboxamide
4,6-dimethyl-N-(3-piperidin-1-ylpropyl)-3-pyrrol-1-yl-thieno[5,4-b]pyridine-2-carboxamide
E014-0214
NCGC00120246-01

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
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0045	0.0064	0.0064
Brugia malayi	Sema domain containing protein	0.0084	0.0769	0.0709
Loa Loa (eye worm)	LGC-31 protein	0.0045	0.0064	0.0064
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0045	0.0064	0.0064
Echinococcus granulosus	plexin a4	0.0225	0.328	0.328
Schistosoma mansoni	nephrin	0.0053	0.0223	0.0199
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0101	0.1066	0.1066
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0101	0.1066	0.1008
Schistosoma mansoni	nAChR subunit	0.0045	0.0064	0.004
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0383	0.6101	0.6076
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0237	0.3494	0.3494
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0045	0.0064	0.0064
Brugia malayi	Protein kinase domain containing protein	0.0201	0.2852	0.2806
Schistosoma mansoni	tyrosine kinase	0.0386	0.6163	0.6153
Echinococcus multilocularis	epidermal growth factor receptor	0.0386	0.6163	0.6138
Schistosoma mansoni	hypothetical protein	0.0104	0.1125	0.1103
Echinococcus multilocularis	neuroglian	0.005	0.0156	0.0093
Echinococcus granulosus	glycine receptor subunit beta	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0769	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0769	0.0769
Echinococcus multilocularis	epidermal growth factor receptor	0.0601	1	1
Schistosoma mansoni	hypothetical protein	0.0084	0.0769	0.0746
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0045	0.0064	0.0064
Onchocerca volvulus		0.0101	0.1066	0.1792
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0107	0.1187	0.113
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1066	0.1066
Brugia malayi	Plexin repeat family protein	0.0188	0.2623	0.2576
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0205	0.2919	0.2919
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Loa Loa (eye worm)	sema domain-containing protein	0.0084	0.0769	0.0769
Brugia malayi	Tyrosine-protein kinase abl-1	0.0107	0.1187	0.113
Schistosoma mansoni	tyrosine kinase	0.0201	0.2852	0.2835
Echinococcus multilocularis	semaphorin 5B	0.0084	0.0769	0.0709
Schistosoma mansoni	nAChR subunit	0.0045	0.0064	0.004
Schistosoma mansoni	nAChR subunit	0.0045	0.0064	0.004
Echinococcus multilocularis	roundabout 2	0.006	0.0349	0.0287
Brugia malayi	hypothetical protein	0.0084	0.0769	0.0709
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0101	0.1066	0.1044
Echinococcus granulosus	epidermal growth factor receptor	0.0601	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0138	0.1725	0.1672
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0122	0.1442	0.1387
Schistosoma mansoni	semaphorin 5-related	0.0084	0.0769	0.0746
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0045	0.0064	0.0064
Echinococcus granulosus	semaphorin 5B	0.0084	0.0769	0.0769
Schistosoma mansoni	tyrosine kinase	0.0601	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0101	0.1066	0.1066
Schistosoma mansoni	tyrosine kinase	0.0386	0.6163	0.6153
Schistosoma mansoni	cell adhesion molecule	0.0045	0.0067	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Onchocerca volvulus		0.0101	0.1066	0.1792
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0601	1	1
Schistosoma mansoni	tyrosine kinase	0.0367	0.5818	0.5807
Echinococcus granulosus	nAChR subunit	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Schistosoma mansoni	hypothetical protein	0.0084	0.0769	0.0746
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0101	0.1066	0.1066
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0045	0.0064	0.0064
Schistosoma mansoni	nAChR subunit	0.0045	0.0064	0.004
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0045	0.0064	0.004
Schistosoma mansoni	tyrosine kinase	0.0122	0.1442	0.1422
Onchocerca volvulus		0.0188	0.2623	0.4579
Loa Loa (eye worm)	TK protein kinase	0.0138	0.1725	0.1725
Onchocerca volvulus		0.0084	0.0769	0.126
Loa Loa (eye worm)	plexin A	0.0225	0.328	0.328
Echinococcus multilocularis	insulin receptor	0.0201	0.2852	0.2806
Schistosoma mansoni	tyrosine kinase	0.0367	0.5818	0.5807
Brugia malayi	hypothetical protein	0.0084	0.0769	0.0709
Onchocerca volvulus	Putative nachr subunit	0.0101	0.1066	0.1792
Loa Loa (eye worm)	TK/INSR protein kinase	0.0201	0.2852	0.2852
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Echinococcus granulosus	epidermal growth factor receptor	0.0386	0.6163	0.6163
Schistosoma mansoni	nAChR subunit	0.0045	0.0064	0.004
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Schistosoma mansoni	nAChR subunit	0.0045	0.0064	0.004
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0283	0.0283
Schistosoma mansoni	tyrosine kinase	0.0367	0.5818	0.5807
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Entamoeba histolytica	tyrosin kinase, putative	0.0056	0.0272	0.5
Loa Loa (eye worm)	ACC-1 protein	0.0045	0.0064	0.0064
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0769	0.0769
Echinococcus granulosus	insulin receptor	0.0201	0.2852	0.2852
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0283	0.0283
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0101	0.1066	0.1008
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1125	0.1125
Echinococcus granulosus	twitchin	0.005	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0045	0.0064	0.004
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0769	0.0769
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0122	0.1442	0.1442
Onchocerca volvulus		0.0101	0.1066	0.1792
Schistosoma mansoni	plexin	0.0188	0.2623	0.2605
Onchocerca volvulus		0.0323	0.5026	0.8877
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0045	0.0064	0.0064
Schistosoma mansoni	plexin	0.0104	0.1125	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1066	0.1066
Loa Loa (eye worm)	TK/ABL protein kinase	0.0237	0.3494	0.3494
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.008	0.0699	0.0699
Schistosoma mansoni	tyrosine kinase	0.0201	0.2852	0.2835
Echinococcus granulosus	neuroglian	0.005	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0769	0.0769
Echinococcus granulosus	roundabout 2	0.006	0.0349	0.0349
Entamoeba histolytica	protein kinase domain containing protein	0.0056	0.0272	0.5
Echinococcus multilocularis	plexin a4	0.0225	0.328	0.3237
Brugia malayi	Sema domain containing protein	0.0084	0.0769	0.0709
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0045	0.0064	0.004
Echinococcus multilocularis		0.0264	0.3976	0.3937
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1066	0.1066
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0205	0.2919	0.2873
Loa Loa (eye worm)	ACC-1 protein	0.0045	0.0064	0.0064
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0237	0.3494	0.3452
Brugia malayi	Cation transporter family protein	0.0101	0.1066	0.1008
Echinococcus granulosus	glycine receptor subunit beta	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0188	0.2623	0.2623
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0101	0.1066	0.1008
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0045	0.0064	0.004
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0101	0.1066	0.1008
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1077	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0769	0.0769
Brugia malayi	plexin A	0.0225	0.328	0.3237
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0122	0.1442	0.1387
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0045	0.0064	0.0064
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0045	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0045	0.0064	0.0064
Schistosoma mansoni	tyrosine kinase	0.0234	0.3438	0.3422
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0122	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Echinococcus multilocularis	hypothetical protein	0.0084	0.0769	0.0709
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0101	0.1066	0.1044
Brugia malayi	Tyrosine-protein kinase abl-1	0.0132	0.1631	0.1577
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Echinococcus granulosus	semaphorin 1A	0.0084	0.0769	0.0769
Loa Loa (eye worm)	sema domain-containing protein	0.0084	0.0769	0.0769
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0383	0.6101	0.6101
Schistosoma mansoni	nAChR subunit	0.0045	0.0064	0.004
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0064	0.0064
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0386	0.6163	0.6163
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0045	0.0064	0.0064
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0101	0.1066	0.1066
Onchocerca volvulus	Tyrosine kinase homolog	0.0358	0.5654	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	= 112.2018 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference

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: CHEMBL1612878

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1458899