TDR Targets

Basic information

Technical information

TDR Targets ID: 870031
Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxothie no[4,5-c]chromene-2-carboxamide
MW: 399.507 | Formula: C21H25N3O3S
H donors: 1 H acceptors: 2 LogP: 2.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCN(CC1)CCCNC(=O)c1cc2c(s1)c1ccccc1oc2=O
InChi: 1S/C21H25N3O3S/c1-2-23-10-12-24(13-11-23)9-5-8-22-20(25)18-14-16-19(28-18)15-6-3-4-7-17(15)27-21(16)26/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,22,25)
InChiKey: AJJIIQKYEBKDBR-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

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxo-thieno[4,5-c]chromene-2-carboxamide
N-[3-(4-ethyl-1-piperazinyl)propyl]-4-oxo-2-thieno[4,5-c]chromenecarboxamide
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-keto-thieno[4,5-c]chromene-2-carboxamide

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
Echinococcus granulosus	ubiquitin specific protease 41	0.004	0.0716	0.0646
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0069	0.1301	0.1235
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1028	0.113
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0114	0.2226	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0608	0.0606
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.004	0.0716	0.0743
Echinococcus granulosus	BC026374 protein S09 family	0.0069	0.1301	0.1235
Onchocerca volvulus		0.0069	0.1301	0.4282
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0406	0.8198	0.8198
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.5738	0.5706
Onchocerca volvulus		0.0069	0.1301	0.4282
Onchocerca volvulus		0.0039	0.0694	0.0536
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0694	0.0624
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0044
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.5738	0.5706
Schistosoma mansoni	gliotactin	0.0069	0.1301	0.1301
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0069	0.1301	0.1414
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.004	0.0716	0.5
Onchocerca volvulus		0.0069	0.1301	0.4282
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0063	0.1177	0.1314
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.004	0.0716	0.0646
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1242	1
Brugia malayi	beta-lactamase family protein	0.0039	0.0694	0.0717
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0069	0.1301	0.1235
Onchocerca volvulus		0.0073	0.1387	0.4812
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1028	0.1127
Loa Loa (eye worm)	matrixin family protein	0.0114	0.2226	0.261
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Echinococcus multilocularis	acetylcholinesterase	0.0406	0.8198	0.8184
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.004	0.0716	0.0716
Echinococcus granulosus	neuroligin	0.0069	0.1301	0.1235
Onchocerca volvulus		0.0058	0.1089	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0406	0.8198	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.004	0.0716	0.0646
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.0716	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0069	0.1301	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1301	0.1464
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1028	0.0961
Brugia malayi	Carboxylesterase family protein	0.0406	0.8198	1
Echinococcus multilocularis	acetylcholinesterase	0.0406	0.8198	0.8184
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0694	0.5
Schistosoma mansoni	survival motor neuron protein	0.0058	0.1089	0.1089
Brugia malayi	Carboxylesterase family protein	0.0069	0.1301	0.1467
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0044
Onchocerca volvulus		0.0039	0.0694	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0694	0.0714
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0069	0.1301	0.1414
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.004	0.0716	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0249	0.4984	1
Loa Loa (eye worm)	matrix metalloproteinase	0.0051	0.0948	0.1027
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.004	0.0716	0.529
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0694	0.0624
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0694	0.0694
Mycobacterium ulcerans	carboxylesterase, LipT	0.0069	0.1301	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.004	0.0716	0.0716
Brugia malayi	Carboxylesterase family protein	0.0406	0.8198	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1028	0.1028
Brugia malayi	Matrixin family protein	0.0051	0.0948	0.1031
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1028	0.0961
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.1301	0.1301
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.1089	0.1206
Trichomonas vaginalis	esterase, putative	0.0039	0.0694	0.5116
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0187	0.3715	0.3667
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0187	0.3715	0.3667
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0694	0.0717
Brugia malayi	Matrixin family protein	0.0051	0.0948	0.1031
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0694	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0948	0.1027
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0694	0.0714
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.1301	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1301	0.1464
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0694	0.0694
Echinococcus multilocularis	carboxylesterase 5A	0.0406	0.8198	0.8184
Brugia malayi	Matrixin family protein	0.0051	0.0948	0.1031
Echinococcus granulosus	muscleblind protein	0.018	0.3587	0.3539
Loa Loa (eye worm)	matrixin family protein	0.0124	0.2436	0.2869
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0694	0.5116
Loa Loa (eye worm)	acetylcholinesterase 1	0.0406	0.8198	1
Schistosoma mansoni	hypothetical protein	0.0073	0.1387	0.1387
Brugia malayi	beta-lactamase family protein	0.0039	0.0694	0.0717
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0948	0.1027
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.1301	0.1301
Brugia malayi	Carboxylesterase family protein	0.0069	0.1301	0.1467
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0694	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1301	0.1464
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0069	0.1301	1
Brugia malayi	Carboxylesterase family protein	0.0069	0.1301	0.1467
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0608	0.0609
Schistosoma mansoni	BC026374 protein (S09 family)	0.0069	0.1301	0.1301
Onchocerca volvulus		0.0069	0.1301	0.4282
Echinococcus granulosus	acetylcholinesterase	0.0406	0.8198	0.8184
Echinococcus multilocularis	cpg binding protein	0.0037	0.0648	0.0578
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0694	0.0714
Echinococcus granulosus	acetylcholinesterase	0.0406	0.8198	0.8184
Schistosoma mansoni	acetylcholinesterase	0.0069	0.1301	0.1301
Brugia malayi	Hemopexin family protein	0.0073	0.1387	0.1573
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.0716	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.3587	0.4294
Onchocerca volvulus	Matrilysin homolog	0.0114	0.2226	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0069	0.1301	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0694	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1301	0.1464
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.004	0.0716	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0694	0.0714
Loa Loa (eye worm)	carboxylesterase	0.0406	0.8198	1
Onchocerca volvulus		0.0039	0.0694	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1301	0.1464
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.004	0.0716	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0069	0.1301	0.1235
Mycobacterium ulcerans	hydrolase	0.0063	0.1177	0.7955
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0063	0.1177	0.1125
Echinococcus granulosus	cpg binding protein	0.0037	0.0648	0.0578
Brugia malayi	Carboxylesterase family protein	0.0069	0.1301	0.1467
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0051	0.0948	0.0948
Brugia malayi	Muscleblind-like protein	0.018	0.3587	0.4296
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.0716	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1028	0.0961
Echinococcus multilocularis	muscleblind protein	0.018	0.3587	0.3539
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0948	0.1027
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0069	0.1301	0.1414
Onchocerca volvulus		0.0051	0.0948	0.2103
Trichomonas vaginalis	spcc417.12 protein, putative	0.0069	0.1301	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1301	0.1464
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.004	0.0716	0.0646
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1028	0.1028
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0694	0.5116
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.004	0.0716	0.0646
Brugia malayi	beta-lactamase	0.0039	0.0694	0.0717
Echinococcus multilocularis	para nitrobenzyl esterase	0.0069	0.1301	0.1235
Loa Loa (eye worm)	hypothetical protein	0.004	0.0716	0.074
Loa Loa (eye worm)	carboxylesterase	0.0069	0.1301	0.1464
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1028	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0406	0.8198	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0694	0.5116
Schistosoma mansoni	hypothetical protein	0.0058	0.1089	0.1089
Schistosoma mansoni	cpg binding protein	0.0035	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.018	0.3587	0.4294
Brugia malayi	hypothetical protein	0.0069	0.1301	0.1467
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.004	0.0716	0.529
Brugia malayi	Matrixin family protein	0.0124	0.2436	0.2872
Echinococcus granulosus	carboxylesterase 5A	0.0406	0.8198	0.8184
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1301	0.1464
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0694	0.5116
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1028	0.1028
Echinococcus multilocularis	neuroligin	0.0069	0.1301	0.1235
Echinococcus multilocularis	muscleblind protein 1	0.018	0.3587	0.3539
Brugia malayi	Matrixin family protein	0.0051	0.0948	0.1031
Onchocerca volvulus		0.0069	0.1301	0.4282
Onchocerca volvulus	Matrilysin homolog	0.0051	0.0948	0.2103
Brugia malayi	hypothetical protein	0.0286	0.5738	0.6957
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1177	0.1311
Loa Loa (eye worm)	carboxylesterase	0.0069	0.1301	0.1464
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0694	0.5116
Mycobacterium leprae	PROBABLE HYDROLASE	0.0063	0.1177	1
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0694	0.0714
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1403	0.1403
Loa Loa (eye worm)	hypothetical protein	0.0286	0.5738	0.6956
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0716	0.529

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 870031