TDR Targets

Basic information

Technical information

TDR Targets ID: 823568
Name: 6-methoxy-3-phenylsulfanyl-N-propyl-1H-indole -2-carboxamide
MW: 340.439 | Formula: C19H20N2O2S
H donors: 2 H acceptors: 1 LogP: 4.41 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCNC(=O)c1[nH]c2c(c1Sc1ccccc1)ccc(c2)OC
InChi: 1S/C19H20N2O2S/c1-3-11-20-19(22)17-18(24-14-7-5-4-6-8-14)15-10-9-13(23-2)12-16(15)21-17/h4-10,12,21H,3,11H2,1-2H3,(H,20,22)
InChiKey: RKGQDUPYHHZHFM-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

6-methoxy-3-(phenylthio)-N-propyl-1H-indole-2-carboxamide
ChemDiv3_011785
IDI1_029343

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)	nuclear Hormone Receptor family member	0.002	0.0053	0.004
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0098	0.0149
Entamoeba histolytica	hypothetical protein	0.0036	0.0269	1
Echinococcus granulosus	carbonic anhydrase	0.0138	0.1712	0.5572
Loa Loa (eye worm)	hypothetical protein	0.002	0.0053	0.004
Schistosoma mansoni	carbonic anhydrase	0.0138	0.1712	0.5572
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0138	0.1712	0.5572
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0098	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0232	0.3031	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0653	0.2014
Schistosoma mansoni	carbonic anhydrase-related	0.0138	0.1712	0.5572
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0098	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0138	0.1712	0.1701
Loa Loa (eye worm)	hypothetical protein	0.002	0.0053	0.004
Echinococcus granulosus	carbonic anhydrase	0.0138	0.1712	0.5572
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0098	1
Onchocerca volvulus		0.0236	0.3084	0.9867
Onchocerca volvulus		0.003	0.0184	0.0425
Brugia malayi	hypothetical protein	0.0036	0.0269	0.0726
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0228	0.2973	0.2964
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0053	0.004
Schistosoma mansoni	carbonic anhydrase-related	0.0138	0.1712	0.5572
Plasmodium falciparum	carbonic anhydrase	0.0138	0.1712	1
Echinococcus multilocularis	carbonic anhydrase	0.0138	0.1712	0.5572
Echinococcus multilocularis	carbonic anhydrase II	0.0232	0.3031	1
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0053	0.004
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0653	0.2014
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0168	0.0386
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0184	0.0438
Brugia malayi	TAR-binding protein	0.0063	0.0653	0.2014
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.2681	0.2672
Loa Loa (eye worm)	hypothetical protein	0.002	0.0053	0.004
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0464	0.0451
Brugia malayi	Pre-SET motif family protein	0.0207	0.2681	0.8827
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0098	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0053	0.004
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0464	0.1379
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0653	0.2014
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0138	0.1712	0.5572
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0098	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0269	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0053	0.004
Onchocerca volvulus		0.0024	0.0098	0.0144
Loa Loa (eye worm)	carbonic anhydrase 3	0.0232	0.3031	0.3021
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0232	0.3031	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0653	0.064
Loa Loa (eye worm)	hypothetical protein	0.002	0.0053	0.004
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0098	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0138	0.1712	0.5572
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0098	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0464	0.0451
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.3084	0.5
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0014	0.5
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0098	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0238	0.3125	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0014	0.139
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0098	0.5
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0232	0.3031	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0232	0.3031	0.5
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1712	0.1701
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0098	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0269	1
Schistosoma mansoni	hypothetical protein	0.0138	0.1712	0.5572
Plasmodium vivax	SET domain protein, putative	0.003	0.0184	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0653	0.2014
Loa Loa (eye worm)	hypothetical protein	0.002	0.0053	0.004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0053	0.004
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0098	0.0149
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0653	0.2014
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0653	0.064
Entamoeba histolytica	hypothetical protein	0.0036	0.0269	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0084
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0098	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0653	0.2014
Schistosoma mansoni	carbonic anhydrase-related	0.0138	0.1712	0.5572
Trypanosoma brucei	carbonic anhydrase-like protein	0.0232	0.3031	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0098	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0053	0.004
Schistosoma mansoni	hypothetical protein	0.0036	0.0269	0.0726
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0184	0.0438
Echinococcus granulosus	carbonic anhydrase	0.0138	0.1712	0.5572
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0053	0.004
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0653	0.2014
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0084
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0138	0.1712	0.5572
Echinococcus granulosus	carbonic anhydrase II	0.0232	0.3031	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0243	0.023
Schistosoma mansoni	hypothetical protein	0.0034	0.0243	0.0637
Brugia malayi	nuclear hormone receptor	0.0228	0.2973	0.9807
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0653	0.2014
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0232	0.3031	0.3021
Brugia malayi	RNA binding protein	0.0063	0.0653	0.2014
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0653	0.064
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0269	0.0726
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0269	0.0726
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0464	0.1379
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1712	0.1701
Leishmania major	carbonic anhydrase-like protein	0.0232	0.3031	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0053	0.004
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0243	0.0637
Toxoplasma gondii	hypothetical protein	0.0138	0.1712	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0098	0.0149
Echinococcus multilocularis	carbonic anhydrase	0.0138	0.1712	0.5572
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0184	0.0438
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0184	0.0438
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0053	0.004
Echinococcus multilocularis	carbonic anhydrase	0.0138	0.1712	0.5572
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0138	0.1712	0.5572
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0184	0.0438
Brugia malayi	Pre-SET motif family protein	0.003	0.0184	0.0438
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0053	0.004
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0232	0.3031	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0232	0.3031	1
Loa Loa (eye worm)	hypothetical protein	0.0218	0.2838	0.2828
Loa Loa (eye worm)	hypothetical protein	0.003	0.0184	0.017
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0269	0.0726
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0184	0.0438
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0184	0.0438

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

Search by Saint Jude

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 823568