TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 310.347 | Formula: C18H18N2O3
H donors: 1 H acceptors: 1 LogP: 2.9 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Oc1ccc(cc1)C1=NCCO1)NCc1ccccc1C
InChi: 1S/C18H18N2O3/c1-13-4-2-3-5-15(13)12-20-18(21)23-16-8-6-14(7-9-16)17-19-10-11-22-17/h2-9H,10-12H2,1H3,(H,20,21)
InChiKey: BJGBWQQRKFIYHG-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
Rattus norvegicus	Anandamide amidohydrolase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Candida albicans	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
Schistosoma japonicum	Fatty-acid amide hydrolase 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
Echinococcus multilocularis	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
Schistosoma mansoni	fatty-acid amide hydrolase	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
Schistosoma japonicum	ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], 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
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 mansoni	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
Brugia malayi	amidase	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
Onchocerca volvulus		Anandamide amidohydrolase	579 aa	539 aa	34.7 %
Echinococcus multilocularis	fatty acid amide hydrolase 1	Anandamide amidohydrolase	579 aa	470 aa	28.3 %
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Anandamide amidohydrolase	579 aa	499 aa	24.6 %
Echinococcus granulosus	fatty acid amide hydrolase 1	Anandamide amidohydrolase	579 aa	470 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.3384	0.3334
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0302	1	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0106	0.2743	1
Echinococcus granulosus	cathepsin l1	0.0057	0.0929	0.086
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0057	0.0929	0.0603
Echinococcus multilocularis	cathepsin b	0.0302	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Echinococcus granulosus	cathepsin b	0.0302	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0929	0.3201
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0302	1	1
Echinococcus granulosus	cathepsin l1	0.0041	0.0347	0.0274
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0929	0.086
Toxoplasma gondii	cathepsin B	0.0106	0.2743	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0929	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0091	0.22	0.2141
Plasmodium vivax	vivapain-2	0.0057	0.0929	0.4224
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0106	0.2743	1
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1563	0.1498
Onchocerca volvulus		0.0057	0.0929	1
Toxoplasma gondii	cathepsin CPL	0.0057	0.0929	0.3388
Echinococcus granulosus	peptidase Clp S14 family	0.006	0.1044	0.0976
Brugia malayi	TAR-binding protein	0.0074	0.1563	0.1498
Onchocerca volvulus	Cathepsin L homolog	0.0057	0.0929	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Giardia lamblia	Cathepsin B precursor	0.0106	0.2743	0.5
Brugia malayi	Cathepsin L-like precursor	0.0041	0.0347	0.0274
Schistosoma mansoni	cathepsin F (C01 family)	0.0057	0.0929	0.086
Schistosoma mansoni	cathepsin F (C01 family)	0.0057	0.0929	0.086
Echinococcus multilocularis	cathepsin L cysteine protease	0.0057	0.0929	0.086
Loa Loa (eye worm)	cysteine protease	0.0057	0.0929	0.0603
Brugia malayi	Papain family cysteine protease containing protein	0.0057	0.0929	0.086
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.1563	0.1259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0091	0.22	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0106	0.2743	1
Plasmodium vivax	vivapain-3	0.0033	0.0076	0.0344
Loa Loa (eye worm)	cathepsin B	0.0106	0.2743	0.2482
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0929	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.22	0.8021
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0929	0.3201
Loa Loa (eye worm)	ctsf protein	0.0057	0.0929	0.0603
Brugia malayi	Probable ClpP-like protease	0.0091	0.22	0.2141
Onchocerca volvulus		0.0057	0.0929	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0057	0.0929	0.3201
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0091	0.22	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0057	0.0929	0.0603
Plasmodium vivax	vivapain-1	0.0033	0.0076	0.0344
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0929	0.3201
Trypanosoma cruzi	cruzipain precursor, putative	0.0057	0.0929	0.086
Entamoeba histolytica	cysteine proteinase, putative	0.0057	0.0929	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Echinococcus multilocularis	cathepsin L cysteine protease	0.0057	0.0929	0.086
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.22	0.5
Loa Loa (eye worm)	RNA binding protein	0.0074	0.1563	0.1259
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.22	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.3384	0.3334
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1563	0.1498
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Onchocerca volvulus		0.0057	0.0929	1
Plasmodium vivax	unspecified product	0.0033	0.0076	0.0344
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0929	0.086
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0929	0.3201
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.22	0.5
Loa Loa (eye worm)	fibroinase	0.0057	0.0929	0.0603
Brugia malayi	amidase	0.0123	0.3384	0.3334
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.22	0.8021
Echinococcus granulosus	tar DNA binding protein	0.0074	0.1563	0.1498
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0091	0.22	0.2141
Trypanosoma cruzi	cysteine peptidase, putative	0.0057	0.0929	0.086
Brugia malayi	RNA binding protein	0.0074	0.1563	0.1498
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0091	0.22	1
Giardia lamblia	Cathepsin B precursor	0.0106	0.2743	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0057	0.0929	0.086
Onchocerca volvulus		0.0057	0.0929	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0302	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0041	0.0347	0.1018
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.006	0.1044	0.4744
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0033	0.0076	0.0344
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0929	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0302	1	1
Onchocerca volvulus		0.0057	0.0929	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0302	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0057	0.0929	0.4224
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0302	1	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.006	0.1044	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0041	0.0347	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0091	0.22	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.3384	0.3334
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0929	0.086
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0057	0.0929	0.086
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0057	0.0929	0.4224
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0057	0.0929	0.3201
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.1563	0.1498
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1563	0.1498
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0929	0.3201
Onchocerca volvulus		0.0057	0.0929	1
Brugia malayi	Cathepsin L-like precursor	0.0041	0.0347	0.0274
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0091	0.22	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0057	0.0929	0.086
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Echinococcus granulosus	cathepsin b	0.0302	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.1563	0.1498
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1563	0.1498
Brugia malayi	cathepsin L-like precursor	0.0041	0.0347	0.0274
Giardia lamblia	Cathepsin B precursor	0.0106	0.2743	0.5
Echinococcus multilocularis	cysteine protease	0.0057	0.0929	0.086
Schistosoma mansoni	fatty-acid amide hydrolase	0.0123	0.3384	0.3334
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0057	0.0929	0.086
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0929	0.086
Onchocerca volvulus	Cathepsin F homolog	0.0057	0.0929	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0929	0.3201
Entamoeba histolytica	cysteine proteinase, putative	0.0057	0.0929	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0057	0.0929	0.4224
Onchocerca volvulus		0.0057	0.0929	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Schistosoma mansoni	amidase	0.0123	0.3384	0.3334
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0929	0.086
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0057	0.0929	0.3201
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.1563	0.1259
Brugia malayi	Cathepsin L-like precursor	0.0057	0.0929	0.086
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0041	0.0347	0.0274
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.22	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0057	0.0929	0.086
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0106	0.2743	0.2688
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0929	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0929	0.0603
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.3384	0.3334
Schistosoma mansoni	cathepsin F (C01 family)	0.0041	0.0347	0.0274
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.006	0.1044	0.5
Plasmodium vivax	vivapain-2	0.0057	0.0929	0.4224
Loa Loa (eye worm)	hypothetical protein	0.0123	0.3384	0.3146
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0041	0.0347	0.1018
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0106	0.2743	0.2688
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0041	0.0347	0.0274
Echinococcus multilocularis	cathepsin b	0.0302	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0091	0.22	0.2141
Loa Loa (eye worm)	hypothetical protein	0.0091	0.22	0.192
Trypanosoma cruzi	cysteine peptidase, putative	0.0057	0.0929	0.086
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0929	0.3201
Onchocerca volvulus	Cathepsin L homolog	0.0057	0.0929	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.006	0.1044	0.0976
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1563	0.1498
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0057	0.0929	0.086
Echinococcus multilocularis	cysteine protease	0.0057	0.0929	0.086

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.034 uM	Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting	ChEMBL.	19232787
IC50 (binding)	= 35 uM	Inhibition of MGL in Wistar rat cerebral membrane by HPLC	ChEMBL.	19232787
Inhibition (binding)	= 12 %	Inhibition of MGL in Wistar rat cerebral membrane assessed as residual activity at 1 mM by HPLC	ChEMBL.	19232787

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: CHEMBL555073

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 1045828