TDR Targets

Basic information

Technical information

TDR Targets ID: 256423
Name: 2-(1-decyl-5-methoxy-2-methylindol-3-yl)aceta mide
MW: 358.518 | Formula: C22H34N2O2
H donors: 1 H acceptors: 1 LogP: 5.62 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCn1c2ccc(cc2c(c1C)CC(=O)N)OC
InChi: 1S/C22H34N2O2/c1-4-5-6-7-8-9-10-11-14-24-17(2)19(16-22(23)25)20-15-18(26-3)12-13-21(20)24/h12-13,15H,4-11,14,16H2,1-3H3,(H2,23,25)
InChiKey: PHJSYKHIMHYQRQ-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-(1-decyl-5-methoxy-2-methyl-indol-3-yl)acetamide
2-(1-decyl-5-methoxy-2-methyl-3-indolyl)acetamide
2-(1-decyl-5-methoxy-2-methyl-indol-3-yl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phospholipase A2, group IIA (platelets, synovial fluid)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Phospholipase A2 family protein	phospholipase A2, group IIA (platelets, synovial fluid)	144 aa	125 aa	28.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.147	0.523	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0007	0.0012
Brugia malayi	Pre-SET motif family protein	0.0209	0.0652	0.1246
Schistosoma mansoni	hypothetical protein	0.0032	0.0007	0.0007
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0022	0.022
Loa Loa (eye worm)	DOMON domain-containing protein	0.0281	0.0913	0.1746
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0022	0.022
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0007	0.0012
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.002	0.0038
Brugia malayi	jmjC domain containing protein	0.0096	0.024	0.0459
Onchocerca volvulus		0.0036	0.0022	0.0246
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0022	0.022
Brugia malayi	beta-lactamase family protein	0.0036	0.0022	0.0043
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0022	0.0043
Trichomonas vaginalis	set domain proteins, putative	0.0238	0.0757	1
Brugia malayi	jmjC domain containing protein	0.0036	0.002	0.0038
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0007	0.0012
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0022	1
Onchocerca volvulus		0.0036	0.0022	0.0246
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0746	0.26	0.4972
Onchocerca volvulus	Phospholipase A2 homolog	0.0111	0.0295	0.3226
Schistosoma mansoni	cytochrome P450	0.0032	0.0007	0.0007
Brugia malayi	DOMON domain containing protein	0.0281	0.0913	0.1746
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0022	0.022
Brugia malayi	cytochrome P450	0.0032	0.0007	0.0012
Loa Loa (eye worm)	hypothetical protein	0.005	0.0074	0.0141
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0007	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0022	0.0043
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.147	0.523	0.523
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0039	0.0075
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0022	0.0022
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.002	0.0038
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.024	0.0459
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0022	1
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0022	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0022	0.0043
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.002	0.002
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0007	0.0012
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0111	0.0212
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0209	0.0652	0.1246
Schistosoma mansoni	peptidylglycine monooxygenase	0.147	0.523	0.523
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0022	1
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.147	0.523	1
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.147	0.523	1
Loa Loa (eye worm)	hypothetical protein	0.147	0.523	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0022	0.022
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0022	0.0043
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.147	0.523	1
Loa Loa (eye worm)	DOMON domain-containing protein	0.0281	0.0913	0.1746
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0022	0.022
Onchocerca volvulus	Phospholipase A2 homolog	0.0111	0.0295	0.3226
Loa Loa (eye worm)	DOMON domain-containing protein	0.0281	0.0913	0.1746
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0022	0.0043
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.024	0.0459
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0022	1
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0007	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0295	0.0563
Loa Loa (eye worm)	CYP4Cod1	0.0032	0.0007	0.0012
Onchocerca volvulus		0.0281	0.0913	1
Brugia malayi	DOMON domain containing protein	0.0281	0.0913	0.1746
Loa Loa (eye worm)	cytochrome P450	0.0032	0.0007	0.0012
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0007	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0022	0.0043
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0168	0.0168
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0022	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0022	0.0043
Brugia malayi	Phospholipase A2 family protein	0.0111	0.0295	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0022	0.0043
Brugia malayi	beta-lactamase	0.0036	0.0022	0.0043
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0022	0.0043
Brugia malayi	beta-lactamase family protein	0.0036	0.0022	0.0043
Echinococcus multilocularis		0.0032	0.0007	0.0012
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.002	0.002
Brugia malayi	DOMON domain containing protein	0.0281	0.0913	0.1746
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0022	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.0022	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.0022	0.0041
Schistosoma mansoni	amine GPCR	0.0231	0.0729	0.0729
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0724	0.2521	0.4819
Toxoplasma gondii	cytochrome p450 superfamily protein	0.155	0.5521	1
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0039	0.0075
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0022	0.022
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0022	0.022
Onchocerca volvulus		0.0238	0.0757	0.829
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0022	0.0043
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.0732	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0295	0.0563
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0022	1
Leishmania major	hypothetical protein, conserved	0.0036	0.0022	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0022	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0022	0.022
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.147	0.523	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0022	0.0043
Onchocerca volvulus		0.0281	0.0913	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0022	0.0022
Echinococcus granulosus	cytochrome P450 2K1	0.0032	0.0007	0.0012
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0022	0.022
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.002	0.0038
Onchocerca volvulus		0.0036	0.0022	0.0246
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0022	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	0 uM	Inhibition of AA (arachidonic acid) induced contraction of guinea pig lung tissue	ChEMBL.	9005255
IC50 (functional)	= 9.47 uM	Inhibition of Human Nonpancreatic Secretory Phospholipase A2 through Chromogenic assay	ChEMBL.	9005255
IC50 (functional)	= 9.47 uM	Inhibition of Human Nonpancreatic Secretory Phospholipase A2 through Chromogenic assay	ChEMBL.	9005255
KB app (functional)	uM	Compound was evaluated for the inhibition of PLA2 induced contraction of GP lung tissue (Guinea pig) (n=4); No data	ChEMBL.	9005255
KB app (functional)	0 uM	Compound was evaluated for the inhibition of PLA2 induced contraction of GP lung tissue (Guinea pig) (n=4); No data	ChEMBL.	9005255
Mole fraction (functional)	= 7.7	Mole fraction as PLA2 IC50 concentration divided by total lipid concentration (1230 microM)	ChEMBL.	9005255
Mole fraction (functional)	= 7.7	Mole fraction as PLA2 IC50 concentration divided by total lipid concentration (1230 microM)	ChEMBL.	9005255

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: CHEMBL147402
PubChem: 11792751

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 256423