TDR Targets

Basic information

Technical information

TDR Targets ID: 1431145
Name: 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl )furan-2-carboxamide
MW: 255.312 | Formula: C16H17NO2
H donors: 1 H acceptors: 1 LogP: 3.28 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(o1)C(=O)NC1CCCc2c1cccc2
InChi: 1S/C16H17NO2/c1-11-9-10-15(19-11)16(18)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,17,18)
InChiKey: AVSDBHAIRHRXQQ-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

5-methyl-N-tetralin-1-yl-furan-2-carboxamide
5-methyl-N-(1-tetralinyl)-2-furancarboxamide
5-methyl-N-tetralin-1-yl-2-furamide
IVK/9368884
5-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-2-furamide
MLS000065565
SMR000080189

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	hydroxysteroid (17-beta) dehydrogenase 10	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania mexicana	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania braziliensis	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Cryptosporidium hominis	scully CG7113-PA	Get druggable targets OG5_129031	All targets in OG5_129031
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Cryptosporidium parvum	scully CG7113-PA, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania infantum	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma japonicum	ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative	Get druggable targets OG5_129031	All targets in OG5_129031
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania donovani	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	hydroxysteroid (17-beta) dehydrogenase 10	252 aa	251 aa	24.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0044	0.4241	0.3689
Brugia malayi	protein-tyrosine kinase	0.0044	0.4241	0.4241
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.6677	0.7483
Brugia malayi	tRNA modification GTPase TrmE family protein	0.003	0.0875	0.0875
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Brugia malayi	Protein kinase domain containing protein	0.0044	0.4241	0.4241
Onchocerca volvulus		0.0044	0.4241	1
Brugia malayi	SH2 domain containing protein	0.003	0.0875	0.0875
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.003	0.0875	0.0981
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0044	0.4241	0.3689
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Onchocerca volvulus		0.0044	0.4241	1
Schistosoma mansoni	tyrosine kinase	0.0044	0.4241	0.3689
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0044	0.4241	0.3689
Loa Loa (eye worm)	SH2 domain-containing protein	0.003	0.0875	0.0981
Onchocerca volvulus		0.0044	0.4241	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0044	0.4241	0.3689
Brugia malayi	Protein kinase domain containing protein	0.0044	0.4241	0.4241
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Echinococcus multilocularis	tyrosine kinase	0.0044	0.4241	0.3689
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0044	0.4241	0.3689
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0044	0.4241	0.3689
Brugia malayi	SH2 domain containing protein	0.003	0.0875	0.0875
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Schistosoma mansoni	tyrosine kinase	0.0044	0.4241	0.3689
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0	0.5
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.003	0.0875	0.0981
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0044	0.4241	0.3689
Brugia malayi	Variant SH3 domain containing protein	0.003	0.0875	0.0875
Brugia malayi	Protein kinase domain containing protein	0.0044	0.4241	0.4241
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0	0.5
Onchocerca volvulus		0.0044	0.4241	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Brugia malayi	SH2 domain containing protein	0.003	0.0875	0.0875
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.003	0.0875	0.0981
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.003	0.0875	0.0875
Loa Loa (eye worm)	STAT protein	0.003	0.0875	0.0981
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0044	0.4241	0.3689
Brugia malayi	SH2 domain containing protein	0.003	0.0875	0.0875
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0044	0.4241	0.3689
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0044	0.4241	0.3689
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0044	0.4241	0.3689
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0069	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0044	0.4241	0.3689
Brugia malayi	Sex muscle abnormal protein 5	0.003	0.0875	0.0875
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0044	0.4241	0.3689
Loa Loa (eye worm)	SRC-1	0.0044	0.4241	0.4753
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.003	0.0875	0.0981
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0044	0.4241	0.3689
Brugia malayi	hypothetical protein	0.003	0.0875	0.0875
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0069	1	1
Echinococcus granulosus	tyrosine kinase	0.0044	0.4241	0.3689
Brugia malayi	Tensin	0.003	0.0875	0.0875
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.003	0.0875	0.0981
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Echinococcus multilocularis	tyrosine protein kinase shark	0.0044	0.4241	0.3689
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0044	0.4241	0.3689
Brugia malayi	SH2 domain containing protein	0.003	0.0875	0.0875
Onchocerca volvulus		0.0044	0.4241	1
Echinococcus multilocularis	c src tyrosine kinase	0.0044	0.4241	0.3689
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Schistosoma mansoni	tyrosine kinase	0.0044	0.4241	0.3689
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0069	1	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0044	0.4241	0.3689
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0044	0.4241	0.3689
Loa Loa (eye worm)	TK protein kinase	0.0044	0.4241	0.4753
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0044	0.4241	0.3689
Brugia malayi	cytokine inducible SH2-containing protein 5	0.003	0.0875	0.0875
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0065	0.8922	1
Brugia malayi	hypothetical protein	0.0044	0.4241	0.4241
Brugia malayi	Tyrosine-protein kinase abl-1	0.0044	0.4241	0.4241
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Brugia malayi	Protein kinase domain containing protein	0.0044	0.4241	0.4241
Echinococcus granulosus	tyrosine protein kinase Srms	0.0044	0.4241	0.3689
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0044	0.4241	0.3689
Brugia malayi	Variant SH3 domain containing protein	0.003	0.0875	0.0875
Echinococcus granulosus	tyrosine protein kinase Blk	0.0044	0.4241	0.3689
Echinococcus granulosus	tyrosine kinase	0.0044	0.4241	0.3689
Brugia malayi	SRC-1	0.0044	0.4241	0.4241
Echinococcus granulosus	tyrosine protein kinase shark	0.0044	0.4241	0.3689
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0044	0.4241	0.3689
Trypanosoma brucei	cytochrome P450, putative	0.0026	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0044	0.4241	0.3689
Echinococcus granulosus	c src tyrosine kinase	0.0044	0.4241	0.3689
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.003	0.0875	0.0981
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0069	1	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0044	0.4241	0.3689
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0069	1	1
Brugia malayi	Variant SH3 domain containing protein	0.003	0.0875	0.0875
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0044	0.4241	0.3689
Brugia malayi	SH2 domain containing protein	0.003	0.0875	0.0875
Schistosoma mansoni	tyrosine kinase	0.0044	0.4241	0.3689
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0044	0.4241	0.3689
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Loa Loa (eye worm)	SH2 domain-containing protein	0.003	0.0875	0.0981
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Brugia malayi	SH2 domain containing protein	0.003	0.0875	0.0875
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0069	1	1
Schistosoma mansoni	tyrosine kinase	0.0044	0.4241	0.3689
Loa Loa (eye worm)	TK/ABL protein kinase	0.0044	0.4241	0.4753
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0044	0.4241	0.3689
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0069	1	1
Brugia malayi	SH2 domain containing protein	0.0044	0.4241	0.4241
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0044	0.4241	1
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0044	0.4241	0.3689
Brugia malayi	RhoGAP domain containing protein	0.003	0.0875	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0044	0.4241	0.4753
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0044	0.4241	0.3689
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0044	0.4241	0.3689
Brugia malayi	STAT protein, DNA binding domain containing protein	0.003	0.0875	0.0875
Brugia malayi	Cytochrome P450 family protein	0.0055	0.6677	0.6677
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.4241	0.4753
Loa Loa (eye worm)	SH2 domain-containing protein	0.003	0.0875	0.0981
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0044	0.4241	0.3689
Loa Loa (eye worm)	hypothetical protein	0.003	0.0875	0.0981
Brugia malayi	SH2 domain containing protein	0.0044	0.4241	0.4241
Brugia malayi	Variant SH3 domain containing protein	0.003	0.0875	0.0875
Brugia malayi	Protein kinase domain containing protein	0.0044	0.4241	0.4241
Onchocerca volvulus		0.0044	0.4241	1
Schistosoma mansoni	tyrosine kinase	0.0044	0.4241	0.3689

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 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 (binding)	= 25.1189 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)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	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: CHEMBL1575827

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1431145