TDR Targets

Basic information

Technical information

TDR Targets ID: 1377738
Name: (4-ethylpiperazin-1-yl)-(7-methoxythieno[5,4- b]quinolin-2-yl)methanone
MW: 355.454 | Formula: C19H21N3O2S
H donors: 0 H acceptors: 2 LogP: 3.25 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCN(CC1)C(=O)c1cc2c(s1)nc1c(c2)ccc(c1)OC
InChi: 1S/C19H21N3O2S/c1-3-21-6-8-22(9-7-21)19(23)17-11-14-10-13-4-5-15(24-2)12-16(13)20-18(14)25-17/h4-5,10-12H,3,6-9H2,1-2H3
InChiKey: TYVFKFLXRZCYEM-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-ethyl-1-piperazinyl)-(7-methoxy-2-thieno[5,4-b]quinolinyl)methanone
SMR000130584
MLS000520171

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352

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
Treponema pallidum	NADH oxidase	0.0022	0.004	0.5
Brugia malayi	glutathione reductase	0.0062	0.0322	0.0665
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0062	0.0322	0.0453
Echinococcus granulosus	muscleblind protein	0.018	0.1146	0.2332
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0116	0.0701	0.2015
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0022	0.004	0.0667
Plasmodium vivax	glutathione reductase, putative	0.0062	0.0322	0.0862
Echinococcus granulosus	thioredoxin glutathione reductase	0.0062	0.0322	0.0627
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.004	0.5
Toxoplasma gondii	cathepsin B	0.0044	0.0197	0.048
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0701	0.141
Brugia malayi	Pepsin A precursor	0.0116	0.0701	0.1445
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0116	0.0701	0.0682
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0134	0.0821	1
Echinococcus multilocularis	muscleblind protein 1	0.018	0.1146	0.1684
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0492	0.3319	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0821	0.1659
Loa Loa (eye worm)	hypothetical protein	0.0148	0.092	0.1864
Loa Loa (eye worm)	hypothetical protein	0.018	0.1146	0.2332
Loa Loa (eye worm)	hypothetical protein	0.0712	0.485	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0492	0.3319	0.683
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0701	0.141
Plasmodium falciparum	glutathione reductase	0.0062	0.0322	0.0862
Loa Loa (eye worm)	hypothetical protein	0.018	0.1146	0.2332
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0022	0.004	0.5
Plasmodium vivax	aspartyl proteinase, putative	0.0116	0.0701	0.2015
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0712	0.485	1
Plasmodium falciparum	thioredoxin reductase	0.0062	0.0322	0.0862
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0022	0.004	0.0667
Brugia malayi	B-box zinc finger family protein	0.0019	0.002	0.004
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0022	0.004	0.1136
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0044	0.0197	0.0178
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0022	0.004	0.5
Loa Loa (eye worm)	aspartyl protease 6	0.0116	0.0701	0.141
Plasmodium falciparum	plasmepsin VII	0.0116	0.0701	0.2015
Giardia lamblia	Cathepsin B precursor	0.0044	0.0197	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.004	0.5
Plasmodium falciparum	plasmepsin II	0.0492	0.3319	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0022	0.004	0.0667
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0116	0.0701	0.0682
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0116	0.0701	0.0682
Plasmodium vivax	plasmepsin IV, putative	0.0492	0.3319	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0044	0.0197	0.5574
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0134	0.0821	0.0803
Trypanosoma brucei	trypanothione reductase	0.0062	0.0322	1
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0712	0.485	0.484
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0062	0.0322	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0134	0.0821	0.0803
Plasmodium vivax	thioredoxin reductase, putative	0.0062	0.0322	0.0862
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0022	0.004	0.0042
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0116	0.0701	0.141
Mycobacterium tuberculosis	Probable oxidoreductase	0.0022	0.004	0.0667
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0492	0.3319	0.3306
Leishmania major	trypanothione reductase	0.0062	0.0322	1
Onchocerca volvulus	Huntingtin homolog	0.0148	0.092	1
Schistosoma mansoni	memapsin-2 (A01 family)	0.0116	0.0701	0.0682
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0492	0.3319	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.004	0.0667
Brugia malayi	aspartic protease BmAsp-2, identical	0.0116	0.0701	0.1445
Plasmodium falciparum	plasmepsin IX	0.0116	0.0701	0.2015
Plasmodium vivax	aspartyl protease, putative	0.0116	0.0701	0.2015
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0022	0.004	0.5
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0116	0.0701	0.1445
Loa Loa (eye worm)	hypothetical protein	0.0148	0.092	0.1864
Toxoplasma gondii	aspartyl protease	0.0116	0.0701	0.2015
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0044	0.0197	0.2015
Plasmodium vivax	aspartyl protease, putative	0.0116	0.0701	0.2015
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.6708	1
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0378	0.2524	0.251
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0022	0.004	0.0667
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0116	0.0701	0.0682
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0134	0.0821	0.0803
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0022	0.004	0.5
Plasmodium falciparum	plasmepsin III	0.0116	0.0701	0.2015
Trypanosoma cruzi	trypanothione reductase, putative	0.0062	0.0322	0.3616
Plasmodium vivax	aspartyl proteinase, putative	0.0492	0.3319	1
Giardia lamblia	Cathepsin B precursor	0.0044	0.0197	1
Onchocerca volvulus	Huntingtin homolog	0.0148	0.092	1
Loa Loa (eye worm)	hypothetical protein	0.0492	0.3319	0.683
Plasmodium falciparum	plasmepsin I	0.0492	0.3319	1
Loa Loa (eye worm)	glutathione reductase	0.0062	0.0322	0.0627
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0116	0.0701	0.0682
Toxoplasma gondii	thioredoxin reductase	0.0062	0.0322	0.0862
Plasmodium falciparum	plasmepsin X	0.0116	0.0701	0.2015
Brugia malayi	Muscleblind-like protein	0.018	0.1146	0.2363
Echinococcus multilocularis	cathepsin b	0.0134	0.0821	0.1198
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0044	0.0197	0.5869
Toxoplasma gondii	aspartyl protease ASP3	0.0116	0.0701	0.2015
Plasmodium falciparum	plasmepsin VIII, putative	0.0116	0.0701	0.2015
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0192	0.1227	0.2529
Brugia malayi	hypothetical protein	0.0116	0.0701	0.1445
Brugia malayi	cathepsin B-like cysteine proteinase	0.0134	0.0821	0.1693
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0186	0.1187	0.2448
Brugia malayi	aspartic protease BmAsp-1, identical	0.0116	0.0701	0.1445
Plasmodium vivax	aspartyl protease, putative	0.0116	0.0701	0.2015
Plasmodium falciparum	plasmepsin VI	0.0492	0.3319	1
Brugia malayi	Thioredoxin reductase	0.0062	0.0322	0.0665
Brugia malayi	hypothetical protein	0.0116	0.0701	0.1445
Plasmodium vivax	plasmepsin V, putative	0.0116	0.0701	0.2015
Plasmodium falciparum	plasmepsin IV	0.0492	0.3319	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0022	0.004	0.0082
Loa Loa (eye worm)	thioredoxin reductase	0.0062	0.0322	0.0627
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0492	0.3319	0.683
Echinococcus multilocularis	cathepsin b	0.0134	0.0821	0.1198
Echinococcus multilocularis	muscleblind protein	0.018	0.1146	0.1684
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0134	0.0821	0.0803
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0492	0.3319	0.4933
Loa Loa (eye worm)	cathepsin B	0.0044	0.0197	0.0368
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0116	0.0701	0.0682
Brugia malayi	B-box type zinc-finger protein ncl-1	0.0019	0.002	0.004
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0378	0.2524	0.5205
Giardia lamblia	Cathepsin B precursor	0.0044	0.0197	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0022	0.004	0.003
Schistosoma mansoni	peptidylglycine monooxygenase	0.0378	0.2524	0.251
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0022	0.004	0.5
Plasmodium falciparum	plasmepsin V	0.0116	0.0701	0.2015
Loa Loa (eye worm)	hypothetical protein	0.0378	0.2524	0.5185
Brugia malayi	B-box zinc finger family protein	0.0019	0.002	0.004
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0044	0.0197	0.048
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0022	0.004	0.002
Brugia malayi	hypothetical protein	0.0148	0.092	0.1897
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0022	0.004	0.0667
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0116	0.0701	0.0682
Toxoplasma gondii	aspartyl protease ASP1	0.0492	0.3319	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.004	0.0667
Entamoeba histolytica	hypothetical protein	0.0019	0.002	0.5
Brugia malayi	Hypothetical RING finger protein F54G8.4 in chromosome III	0.0019	0.002	0.004
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0116	0.0701	0.0682
Brugia malayi	B-box type zinc-finger protein ncl-1	0.0019	0.002	0.004
Schistosoma mansoni	cathepsin D (A01 family)	0.1452	1	1
Echinococcus granulosus	cathepsin b	0.0134	0.0821	0.1659
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0712	0.485	0.7222
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0712	0.485	1
Echinococcus granulosus	cathepsin b	0.0134	0.0821	0.1659

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.5623 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	14.1254 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	37.933 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	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: CHEMBL1511655

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1377738