TDR Targets

Basic information

Technical information

TDR Targets ID: 172582
Name: [2,4-dimethyl-1-(2-morpholin-4-ylethyl)indol- 3-yl]-(4-methoxyphenyl)methanone
MW: 392.491 | Formula: C24H28N2O3
H donors: 0 H acceptors: 1 LogP: 3.68 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)c1c(C)n(c2c1c(C)ccc2)CCN1CCOCC1
InChi: 1S/C24H28N2O3/c1-17-5-4-6-21-22(17)23(24(27)19-7-9-20(28-3)10-8-19)18(2)26(21)12-11-25-13-15-29-16-14-25/h4-10H,11-16H2,1-3H3
InChiKey: HBUYSSLHHINVDP-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

[2,4-dimethyl-1-(2-morpholinoethyl)indol-3-yl]-(4-methoxyphenyl)methanone
[2,4-dimethyl-1-(2-morpholinoethyl)-3-indolyl]-(4-methoxyphenyl)methanone

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
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Schistosoma mansoni	hypothetical protein	0.0176	0.3337	0.3337
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0176	0.3337	1
Schistosoma mansoni	CREB-binding protein 2	0.0132	0.2424	0.2424
Onchocerca volvulus		0.0176	0.3337	0.3134
Schistosoma mansoni	fusion	0.0176	0.3337	0.3337
Loa Loa (eye worm)	hypothetical protein	0.0432	0.8715	0.8715
Trichomonas vaginalis	conserved hypothetical protein	0.0269	0.5296	0.5153
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3337	0.3337
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0269	0.5296	0.5153
Toxoplasma gondii	bromodomain-containing protein	0.0194	0.3714	0.3523
Echinococcus granulosus	ring and YY1 binding protein	0.0176	0.3337	0.3337
Loa Loa (eye worm)	BRM protein	0.003	0.0295	0.0295
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0194	0.3714	0.3523
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0494	1	1
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0176	0.3337	0.3134
Toxoplasma gondii	ran binding protein	0.0176	0.3337	0.3134
Brugia malayi	TAZ zinc finger family protein	0.0132	0.2424	0.2194
Echinococcus multilocularis	PH interacting protein	0.003	0.0295	0.0282
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0494	1	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Schistosoma mansoni	polybromo-1	0.003	0.0295	0.0295
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Echinococcus granulosus	CREB binding protein	0.0017	0.0013	0.0013
Schistosoma mansoni	transcription initiation factor tfiid	0.003	0.0295	0.0295
Trichomonas vaginalis	bromodomain containing protein, putative	0.0194	0.3714	0.3523
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0494	1	1
Echinococcus multilocularis	global transcription activator snf2l2	0.003	0.0295	0.0282
Echinococcus granulosus	PH interacting protein	0.003	0.0295	0.0295
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0176	0.3337	0.3328
Echinococcus granulosus	bromodomain containing 2	0.0432	0.8715	0.8715
Echinococcus granulosus	histone acetyltransferase KAT2B	0.003	0.0295	0.0295
Trypanosoma cruzi	hypothetical protein, conserved	0.0176	0.3337	1
Echinococcus multilocularis	ATPase family AAA domain containing protein 2B	0.003	0.0295	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3337	0.3337
Echinococcus granulosus	Bromodomain containing protein	0.003	0.0295	0.0295
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Loa Loa (eye worm)	TK protein kinase	0.0039	0.0476	0.0476
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0176	0.3337	1
Schistosoma mansoni	hypothetical protein	0.003	0.0295	0.0295
Trichomonas vaginalis	bromodomain containing protein, putative	0.0269	0.5296	0.5153
Echinococcus multilocularis	SWI:SNF matrix associated	0.0494	1	1
Echinococcus granulosus	protein kinase C binding protein 1	0.003	0.0295	0.0295
Schistosoma mansoni	bromodomain containing	0.003	0.0295	0.0295
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0176	0.3337	0.3134
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0176	0.3337	1
Schistosoma mansoni	zinc finger protein	0.0176	0.3337	0.3337
Echinococcus granulosus	ATPase family AAA domain containing protein 2B	0.003	0.0295	0.0295
Echinococcus multilocularis	SWI:SNF matrix associated	0.0494	1	1
Giardia lamblia	Kinase, putative	0.0194	0.3714	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Echinococcus multilocularis	CREB binding protein	0.01	0.1743	0.1733
Echinococcus multilocularis	roundabout 2	0.0019	0.0066	0.0053
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Schistosoma mansoni	RNA binding protein	0.0176	0.3337	0.3337
Schistosoma mansoni	zinc finger protein	0.003	0.0295	0.0295
Schistosoma mansoni	hypothetical protein	0.003	0.0295	0.0295
Echinococcus multilocularis	zinc finger protein	0.003	0.0295	0.0282
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Brugia malayi	Bromodomain containing protein	0.0432	0.8715	0.8676
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Echinococcus multilocularis	ring and YY1 binding protein	0.0176	0.3337	0.3328
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3337	0.3337
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Echinococcus granulosus	roundabout 2	0.0019	0.0066	0.0066
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0494	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0066	0.0066
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0432	0.8715	0.8676
Schistosoma mansoni	tyrosine kinase	0.0036	0.041	0.041
Echinococcus multilocularis	peregrin	0.003	0.0295	0.0282
Onchocerca volvulus		0.0122	0.221	0.1973
Echinococcus granulosus	Zinc finger RanBP2 type	0.0176	0.3337	0.3337
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Leishmania major	hypothetical protein, conserved	0.0176	0.3337	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.003	0.0295	0.0282
Schistosoma mansoni	phd finger protein	0.003	0.0295	0.0295
Echinococcus granulosus	polybromo 1	0.003	0.0295	0.0295
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0176	0.3337	0.3134
Echinococcus granulosus	transcription initiation factor TFIID subunit 1	0.003	0.0295	0.0295
Leishmania major	hypothetical protein, conserved	0.0176	0.3337	1
Loa Loa (eye worm)	brahma associated protein	0.0494	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0494	1	1
Echinococcus multilocularis	protein kinase C binding protein 1	0.003	0.0295	0.0282
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Echinococcus granulosus	Bromodomain containing protein	0.003	0.0295	0.0295
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0176	0.3337	1
Echinococcus multilocularis	bromodomain containing 2	0.0432	0.8715	0.8713
Schistosoma mansoni	bromodomain-containing protein 3 brd3	0.0432	0.8715	0.8715
Echinococcus multilocularis	zinc finger protein Ran binding	0.0176	0.3337	0.3328
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0036	0.041	0.0398
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0269	0.5296	0.5153
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Loa Loa (eye worm)	bromodomain containing protein	0.003	0.0295	0.0295
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Entamoeba histolytica	bromodomain-containing protein	0.0194	0.3714	1
Echinococcus multilocularis	bromodomain containing protein 8	0.003	0.0295	0.0282
Brugia malayi	YY1-associated factor 2	0.0176	0.3337	0.3134
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Echinococcus granulosus	zinc finger protein Ran binding	0.0176	0.3337	0.3337
Trichomonas vaginalis	conserved hypothetical protein	0.0194	0.3714	0.3523
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0139	0.2576	0.235
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0476	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0066	0.0066
Loa Loa (eye worm)	CBP-B	0.01	0.1762	0.1762
Onchocerca volvulus		0.0194	0.3714	0.3523
Echinococcus multilocularis	polybromo 1	0.003	0.0295	0.0282
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0176	0.3337	0.3328
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3337	0.3337
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Echinococcus granulosus	CREB binding protein	0.0017	0.0013	0.0013
Echinococcus multilocularis	Bromodomain containing protein	0.003	0.0295	0.0282
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0494	1	1
Entamoeba histolytica	bromodomain-containing protein	0.0194	0.3714	1
Leishmania major	hypothetical protein, conserved	0.0176	0.3337	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0432	0.8715	0.8676
Brugia malayi	Bromodomain containing protein	0.0432	0.8715	0.8676
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0176	0.3337	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Trichomonas vaginalis	conserved hypothetical protein	0.0239	0.4659	0.4496
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0176	0.3337	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3337	0.3337
Plasmodium vivax	hypothetical protein, conserved	0.0494	1	1
Trichomonas vaginalis	bromodomain-containing protein 4, brd4, putative	0.0194	0.3714	0.3523
Trypanosoma brucei	hypothetical protein, conserved	0.0176	0.3337	1
Chlamydia trachomatis	DNA topoisomerase I	0.0494	1	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0176	0.3337	1
Brugia malayi	brahma associated protein 60 kDa	0.0494	1	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0176	0.3337	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.003	0.0295	0.0295
Onchocerca volvulus		0.0176	0.3337	0.3134
Echinococcus multilocularis		0.003	0.0295	0.0282
Entamoeba histolytica	bromodomain-containing protein	0.0194	0.3714	1
Schistosoma mansoni	brg-1 associated factor	0.0494	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Echinococcus multilocularis	SWI:SNF matrix associated	0.0494	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0176	0.3337	0.3134
Schistosoma mansoni	hypothetical protein	0.003	0.0295	0.0295
Echinococcus granulosus	global transcription activator snf2l2	0.003	0.0295	0.0295
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Trypanosoma brucei	hypothetical protein, conserved	0.0176	0.3337	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0139	0.2576	0.2576
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0036	0.041	0.041
Schistosoma mansoni	bromodomain containing protein	0.003	0.0295	0.0295
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0036	0.041	0.041
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0675	0.0675
Echinococcus multilocularis	Bromodomain containing protein	0.0194	0.3714	0.3706
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0176	0.3337	0.3337
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.003	0.0295	0.0295
Brugia malayi	hypothetical protein	0.0163	0.3077	0.2866
Echinococcus granulosus	CREB binding protein	0.0092	0.1594	0.1594
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Onchocerca volvulus		0.0176	0.3337	0.3134
Schistosoma mansoni	bromodomain containing protein	0.003	0.0295	0.0295
Echinococcus granulosus	bromodomain containing protein 8	0.003	0.0295	0.0295
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0132	0.2424	0.2424
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0494	1	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0494	1	1
Schistosoma mansoni	hypothetical protein	0.003	0.0295	0.0295
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0036	0.041	0.0398
Trypanosoma cruzi	hypothetical protein, conserved	0.0176	0.3337	1
Echinococcus granulosus	peregrin	0.003	0.0295	0.0295
Echinococcus granulosus	CREB binding protein	0.0132	0.2424	0.2424
Onchocerca volvulus	Tyrosine kinase homolog	0.0126	0.2299	0.2065
Brugia malayi	SWIB/MDM2 domain containing protein	0.0494	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0176	0.3337	0.3134
Onchocerca volvulus		0.0176	0.3337	0.3134
Leishmania major	hypothetical protein, conserved	0.0176	0.3337	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0176	0.3337	1
Schistosoma mansoni	helicase	0.003	0.0295	0.0295
Echinococcus granulosus	zinc finger protein	0.003	0.0295	0.0295
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0176	0.3337	0.3134
Leishmania major	hypothetical protein, conserved	0.0176	0.3337	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0494	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Loa Loa (eye worm)	bromodomain containing protein	0.0194	0.3714	0.3714
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.003	0.0295	0.0282
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Loa Loa (eye worm)	hypothetical protein	0.003	0.0295	0.0295
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0176	0.3337	0.3134
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0269	0.5296	0.5153
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0494	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0176	0.3337	1
Onchocerca volvulus		0.0494	1	1
Chlamydia trachomatis	SWIB complex protein	0.0494	1	0.5
Schistosoma mansoni	TRABID protein (C64 family)	0.0176	0.3337	0.3337
Schistosoma mansoni	bromodomain containing protein	0.003	0.0295	0.0295
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0194	0.3714	0.3523
Loa Loa (eye worm)	acetyltransferase	0.003	0.0295	0.0295

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 10000 nM	Concentration required to inhibit electrically induced contractions in isolated mouse vas deferens preparation in vitro	ChEMBL.	7636873
IC50 (functional)	> 10000 nM	Concentration required to inhibit electrically induced contractions in isolated mouse vas deferens preparation in vitro	ChEMBL.	7636873
Inhibition (binding)	= 42 %	Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.	ChEMBL.	7636873
Inhibition (binding)	= 42 %	Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.	ChEMBL.	7636873

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	7636873

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: CHEMBL322188
PubChem: 10475631

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 172582