TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 328.405 | Formula: C19H24N2O3
H donors: 1 H acceptors: 2 LogP: 4.32 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCOc1ccccc1c1onc(c1)C(=O)NC1CCC1
InChi: 1S/C19H24N2O3/c1-2-3-6-12-23-17-11-5-4-10-15(17)18-13-16(21-24-18)19(22)20-14-8-7-9-14/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,20,22)
InChiKey: JZLUUJWAKUHZAL-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cannabinoid receptor 2 (macrophage)	Starlite/ChEMBL	References
Homo sapiens	cannabinoid receptor 1 (brain)	Starlite/ChEMBL	References
Homo sapiens	fatty acid amide hydrolase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma mansoni	fatty-acid amide hydrolase	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma mansoni	amidase	Get druggable targets OG5_127783	All targets in OG5_127783
Brugia malayi	amidase	Get druggable targets OG5_127783	All targets in OG5_127783
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma japonicum	ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative	Get druggable targets OG5_127783	All targets in OG5_127783
Echinococcus granulosus	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Echinococcus granulosus	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Echinococcus multilocularis	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	hypothetical protein, conserved	fatty acid amide hydrolase	579 aa	471 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Plasmodium vivax	vivapain-2	0.0046	0.0793	1
Loa Loa (eye worm)	hypothetical protein	0.0123	0.2762	0.2762
Onchocerca volvulus	Cathepsin L homolog	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.0793	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0046	0.0793	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Onchocerca volvulus		0.0046	0.0793	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0046	0.0793	0.0793
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0024	0.0218	0.0218
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0046	0.0793	0.0587
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0031	0.0401	0.0401
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.2762	0.26
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Echinococcus multilocularis	cysteine protease	0.0046	0.0793	0.0587
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0031	0.0401	0.3182
Onchocerca volvulus		0.0046	0.0793	1
Plasmodium vivax	vivapain-1	0.0024	0.0218	0.2757
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0046	0.0793	0.0793
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0793	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0031	0.0401	0.0401
Leishmania major	cathepsin L-like protease	0.0046	0.0793	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.2762	0.26
Echinococcus granulosus	cathepsin l1	0.0031	0.0401	0.0187
Trypanosoma cruzi	cysteine proteinase, putative	0.0024	0.0218	0.2757
Leishmania major	cathepsin L-like protease	0.0046	0.0793	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0031	0.0401	0.5061
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.0793	1
Onchocerca volvulus		0.0046	0.0793	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0401	0.0401
Schistosoma mansoni	fatty-acid amide hydrolase	0.0123	0.2762	0.2762
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0793	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0793	0.0793
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0793	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.0793	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0793	0.0793
Brugia malayi	amidase	0.0123	0.2762	0.2762
Entamoeba histolytica	cysteine proteinase, putative	0.0031	0.0401	0.3182
Loa Loa (eye worm)	ctsf protein	0.0046	0.0793	0.0793
Leishmania major	cathepsin L-like protease	0.0046	0.0793	0.5
Brugia malayi	Cathepsin L-like precursor	0.0031	0.0401	0.0401
Onchocerca volvulus		0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Leishmania major	cathepsin L-like protease	0.0046	0.0793	0.5
Onchocerca volvulus		0.0046	0.0793	1
Leishmania major	cathepsin L-like protease	0.0046	0.0793	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0046	0.0793	1
Toxoplasma gondii	cathepsin CPL	0.0046	0.0793	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.2762	0.26
Echinococcus granulosus	serine:threonine protein kinase TAO1	0.0406	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0793	0.0793
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.2762	0.26
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0401	0.0401
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0793	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0793	0.0793
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Schistosoma mansoni	amidase	0.0123	0.2762	0.2762
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0793	1
Leishmania major	cysteine peptidase A (CPA)	0.0046	0.0793	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0793	0.0793
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0401	0.0401
Echinococcus multilocularis	cathepsin L cysteine protease	0.0046	0.0793	0.0587
Trypanosoma cruzi	cysteine peptidase, putative	0.0024	0.0218	0.2757
Brugia malayi	Papain family cysteine protease containing protein	0.0024	0.0218	0.0218
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0046	0.0793	0.0587
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Brugia malayi	cathepsin L-like precursor	0.0031	0.0401	0.0401
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0024	0.0218	0.2757
Schistosoma mansoni	cathepsin F (C01 family)	0.0046	0.0793	0.0793
Leishmania major	cathepsin L-like protease	0.0046	0.0793	0.5
Loa Loa (eye worm)	fibroinase	0.0046	0.0793	0.0793
Leishmania major	cathepsin L-like protease	0.0046	0.0793	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.0793	0.0793
Onchocerca volvulus		0.0046	0.0793	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0793	0.0793
Echinococcus multilocularis	cathepsin L cysteine protease	0.0046	0.0793	0.0587
Echinococcus multilocularis	cysteine protease	0.0046	0.0793	0.0587
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0046	0.0793	0.0587
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.0793	1
Leishmania major	cathepsin L-like protease	0.0046	0.0793	0.5
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0024	0.0218	0.0218
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.0793	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Plasmodium vivax	vivapain-2	0.0046	0.0793	1
Plasmodium vivax	unspecified product	0.0024	0.0218	0.2757
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0024	0.0218	0.0218
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0031	0.0401	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0793	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0793	1
Onchocerca volvulus	Cathepsin L homolog	0.0046	0.0793	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Plasmodium vivax	vivapain-3	0.0024	0.0218	0.2757
Loa Loa (eye worm)	cysteine protease	0.0046	0.0793	0.0793
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Brugia malayi	Papain family cysteine protease containing protein	0.0024	0.0218	0.0218
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0046	0.0793	0.0793
Loa Loa (eye worm)	STE/STE20/TAO protein kinase	0.0406	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0406	1	1
Brugia malayi	Cathepsin L-like precursor	0.0031	0.0401	0.0401
Echinococcus granulosus	cathepsin l1	0.0046	0.0793	0.0587
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0046	0.0793	0.0587
Onchocerca volvulus		0.0046	0.0793	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0046	0.0793	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0024	0.0218	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0793	0.0793
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1
Trypanosoma cruzi	cysteine protease, putative	0.0024	0.0218	0.2757
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.0793	1
Echinococcus multilocularis	serine:threonine protein kinase TAO1	0.0406	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0793	1
Brugia malayi	Serine/threonine-protein kinase SULU	0.0406	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0793	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 46 %	Antiproliferative activity against human HT-29 cells at 10 uM after 72 hrs by MTS assay	ChEMBL.	23849204
EC50 (functional)	= 4.4 nM	Agonist activity at human CB2 receptor expressed in CHO membranes assessed as [35S]-GTPgammaS binding after 1 hr	ChEMBL.	23849204
EC50 (functional)	= 4.4 nM	Agonist activity at human CB2 receptor by [35S]-GTPgammaS binding assay	ChEMBL.	24508127
Emax (functional)	= 184 %	Agonist activity at human CB2 receptor expressed in CHO membranes assessed as [35S]-GTPgammaS binding after 1 hr relative to basal constitutive activity	ChEMBL.	23849204
Emax (functional)	= 184 %	Agonist activity at human CB2 receptor by [35S]-GTPgammaS binding assay relative to control	ChEMBL.	24508127
IC50 (binding)	> 10 uM	Inhibition of human recombinant FAAH expressed in Escherichia coli assessed as hydrolysis of [3H]-AEA	ChEMBL.	24508127
Ki (binding)	= 412 nM	Displacement of [3H]-CP55,940 from human CB2 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting	ChEMBL.	23849204
Ki (binding)	= 412 nM	Binding affinity to human CB2 receptor	ChEMBL.	24508127
Ki (binding)	> 1000 nM	Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting	ChEMBL.	23849204
Ki (binding)	> 1000 nM	Binding affinity to human CB1 receptor	ChEMBL.	24508127

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: CHEMBL2414031

Bibliographic References

2 literature references were 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 1769458