TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 365.424 | Formula: C25H19NO2
H donors: 1 H acceptors: 1 LogP: 6.31 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Oc1cccc(c1)c1ccccc1)Nc1cccc(c1)c1ccccc1
InChi: 1S/C25H19NO2/c27-25(26-23-15-7-13-21(17-23)19-9-3-1-4-10-19)28-24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-18H,(H,26,27)
InChiKey: GJGNAZXEUGJLTC-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
Candida albicans	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
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
Loa Loa (eye worm)	hypothetical protein	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
Echinococcus multilocularis	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Schistosoma mansoni	amidase	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
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
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
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	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

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 %
Echinococcus granulosus	fatty acid amide hydrolase 1	Anandamide amidohydrolase	579 aa	470 aa	28.7 %
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Anandamide amidohydrolase	579 aa	499 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0638	1	1
Leishmania major	cathepsin L-like protease	0.0638	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Leishmania major	cathepsin L-like protease	0.0638	1	0.5
Echinococcus granulosus	cathepsin L cysteine protease	0.0329	0.3993	0.3993
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Plasmodium vivax	vivapain-2	0.0638	1	1
Loa Loa (eye worm)	hypothetical protein	0.0427	0.5904	0.5904
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0638	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Echinococcus granulosus	cathepsin l1	0.0427	0.5904	0.5904
Trypanosoma cruzi	cysteine proteinase, putative	0.0329	0.3993	0.2757
Trypanosoma cruzi	cysteine peptidase, putative	0.0329	0.3993	0.2757
Schistosoma mansoni	cathepsin F (C01 family)	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0638	1	1
Echinococcus multilocularis	cysteine protease	0.0638	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0638	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0211	0.1707	0.1707
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Loa Loa (eye worm)	cysteine protease	0.0638	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0211	0.1707	0.1707
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0329	0.3993	0.3993
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0638	1	1
Onchocerca volvulus		0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0427	0.5904	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0638	1	1
Loa Loa (eye worm)	fibroinase	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Echinococcus granulosus	cysteine protease	0.0329	0.3993	0.3993
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0638	1	1
Loa Loa (eye worm)	hypothetical protein	0.0638	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0638	1	1
Entamoeba histolytica	cysteine protease, putative	0.0638	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0638	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0329	0.3993	0.2757
Entamoeba histolytica	cysteine proteinase, putative	0.0427	0.5904	0.3182
Echinococcus multilocularis	cathepsin L cysteine protease	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Onchocerca volvulus		0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Leishmania major	cathepsin L-like protease	0.0638	1	0.5
Loa Loa (eye worm)	ctsf protein	0.0638	1	1
Brugia malayi	Cathepsin L-like precursor	0.0427	0.5904	0.5904
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Echinococcus granulosus	cathepsin l1	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1707	0.1707
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Trypanosoma cruzi	cysteine protease, putative	0.0329	0.3993	0.2757
Brugia malayi	Cathepsin L-like precursor	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0638	1	1
Onchocerca volvulus		0.0638	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0427	0.5904	0.5061
Leishmania major	cathepsin L-like protease	0.0638	1	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0638	1	1
Brugia malayi	Cathepsin L-like precursor	0.0638	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0638	1	1
Echinococcus multilocularis	cathepsin L	0.0329	0.3993	0.3993
Trypanosoma cruzi	cruzipain precursor, putative	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0638	1	1
Schistosoma mansoni	cathepsin s	0.0211	0.1707	0.1707
Plasmodium vivax	vivapain-2	0.0638	1	1
Loa Loa (eye worm)	hypothetical protein	0.0427	0.5904	0.5904
Loa Loa (eye worm)	hypothetical protein	0.0427	0.5904	0.5904
Trypanosoma cruzi	cysteine peptidase, putative	0.0638	1	1
Plasmodium vivax	vivapain-1	0.0329	0.3993	0.2757
Onchocerca volvulus	Cathepsin F homolog	0.0638	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0638	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0638	1	1
Brugia malayi	Cathepsin L-like precursor	0.0427	0.5904	0.5904
Schistosoma mansoni	cathepsin F (C01 family)	0.0427	0.5904	0.5904
Onchocerca volvulus		0.0638	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0638	1	1
Leishmania major	cathepsin L-like protease	0.0638	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1707	0.1707
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0638	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0638	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0329	0.3993	0.3993
Loa Loa (eye worm)	hypothetical protein	0.0211	0.1707	0.1707
Leishmania major	cathepsin L-like protease	0.0638	1	0.5
Echinococcus multilocularis	cysteine protease	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0638	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Leishmania major	cathepsin L-like protease	0.0638	1	0.5
Plasmodium vivax	unspecified product	0.0329	0.3993	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0427	0.5904	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0638	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0638	1	0.5
Toxoplasma gondii	cathepsin CPL	0.0638	1	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0427	0.5904	0.5904
Brugia malayi	Cathepsin L-like precursor	0.0638	1	1
Onchocerca volvulus		0.0638	1	1
Leishmania major	cathepsin L-like protease	0.0638	1	0.5
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0329	0.3993	0.3993
Echinococcus granulosus	cathepsin L	0.0329	0.3993	0.3993
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0329	0.3993	0.3993
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0638	1	1
Brugia malayi	Cathepsin L-like precursor	0.0211	0.1707	0.1707
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0329	0.3993	0.2757
Plasmodium vivax	vivapain-3	0.0329	0.3993	0.2757
Brugia malayi	Papain family cysteine protease containing protein	0.0638	1	1
Brugia malayi	cathepsin L-like precursor	0.0427	0.5904	0.5904
Brugia malayi	Papain family cysteine protease containing protein	0.0329	0.3993	0.3993
Onchocerca volvulus		0.0638	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Onchocerca volvulus		0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0638	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0638	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0638	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0638	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0638	1	1
Brugia malayi	Cathepsin L-like precursor	0.0638	1	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0211	0.1707	0.1707
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0638	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3091 nM	Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis	ChEMBL.	18507372

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: CHEMBL451443

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 958244