TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.453 | Formula: C22H26N2O3
H donors: 1 H acceptors: 2 LogP: 3.31 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CCC(N1CCOc1ccccc1)(C)C(=O)Nc1c(C)cccc1C
InChi: 1S/C22H26N2O3/c1-16-8-7-9-17(2)20(16)23-21(26)22(3)13-12-19(25)24(22)14-15-27-18-10-5-4-6-11-18/h4-11H,12-15H2,1-3H3,(H,23,26)
InChiKey: PBJCZLLXIOZESK-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

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
Toxoplasma gondii	cathepsin CPL	0.0408	0.2489	0.3605
Mycobacterium ulcerans	fatty acid synthase Fas	0.0184	0.0043	0.0058
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0408	0.2489	1
Leishmania major	cathepsin L-like protease	0.0408	0.2489	0.5
Brugia malayi	cathepsin L-like precursor	0.0273	0.1013	0.1013
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0408	0.2489	1
Loa Loa (eye worm)	fibroinase	0.0408	0.2489	0.1977
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0408	0.2489	1
Leishmania major	cathepsin L-like protease	0.0408	0.2489	0.5
Onchocerca volvulus		0.0408	0.2489	0.1718
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0605	0.4648	0.626
Trypanosoma cruzi	cysteine peptidase, putative	0.0408	0.2489	1
Onchocerca volvulus		0.0408	0.2489	0.1718
Onchocerca volvulus		0.1021	0.9204	0.9536
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0408	0.2489	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Onchocerca volvulus	Cathepsin L homolog	0.0408	0.2489	0.1718
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0569	0.4249	0.5698
Onchocerca volvulus	Cathepsin F homolog	0.0408	0.2489	0.1718
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0489	0.3377	0.4517
Brugia malayi	Cathepsin L-like precursor	0.0273	0.1013	0.1013
Schistosoma mansoni	cathepsin F (C01 family)	0.0408	0.2489	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0408	0.2489	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0273	0.1013	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1013	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0408	0.2489	0.1977
Onchocerca volvulus		0.0408	0.2489	0.1718
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0273	0.1013	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0489	0.3377	0.4548
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0569	0.4251	0.5725
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0408	0.2489	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0569	0.4249	0.5722
Trypanosoma cruzi	cysteine peptidase, putative	0.0408	0.2489	1
Entamoeba histolytica	cysteine protease, putative	0.0408	0.2489	1
Brugia malayi	Cathepsin L-like precursor	0.0408	0.2489	0.2489
Leishmania major	cathepsin L-like protease	0.0408	0.2489	0.5
Brugia malayi	Cathepsin L-like precursor	0.0408	0.2489	0.2489
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0605	0.4648	0.6238
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Mycobacterium ulcerans	thioesterase TesA	0.0489	0.3377	0.4548
Brugia malayi	Papain family cysteine protease containing protein	0.0408	0.2489	0.2489
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0184	0.0043	0.0058
Mycobacterium ulcerans	thioesterase	0.0489	0.3377	0.4548
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0273	0.1013	0.3182
Plasmodium vivax	vivapain-2	0.0408	0.2489	1
Entamoeba histolytica	cysteine proteinase, putative	0.0408	0.2489	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0605	0.4648	0.6238
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0569	0.4249	0.5722
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0273	0.1013	0.1013
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0548	0.4026	0.5422
Onchocerca volvulus		0.0548	0.4026	0.3507
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0569	0.4249	0.5722
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0334	0.1677	0.2258
Brugia malayi	Papain family cysteine protease containing protein	0.021	0.0325	0.0325
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.037	0.2074	0.2751
Leishmania major	cathepsin L-like protease	0.0408	0.2489	0.5
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0569	0.4249	0.4249
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0408	0.2489	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0859	0.7426	1
Mycobacterium leprae	Polyketide synthase Pks13	0.0859	0.7426	1
Brugia malayi	Cathepsin L-like precursor	0.0408	0.2489	0.2489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0569	0.4249	0.5722
Plasmodium vivax	vivapain-2	0.0408	0.2489	1
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0184	0.0034	0.0046
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0237	0.0623	0.0838
Mycobacterium ulcerans	polyketide synthase Pks13	0.0859	0.7426	1
Loa Loa (eye worm)	cysteine protease	0.0408	0.2489	0.1977
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1013	0.0045
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0408	0.2489	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0605	0.4648	0.626
Echinococcus granulosus	cathepsin l1	0.0273	0.1013	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Echinococcus granulosus	cathepsin l1	0.0408	0.2489	1
Onchocerca volvulus		0.0408	0.2489	0.1718
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0605	0.4648	0.626
Leishmania major	cathepsin L-like protease	0.0408	0.2489	0.5
Echinococcus multilocularis	cysteine protease	0.0408	0.2489	1
Mycobacterium ulcerans	polyketide synthase	0.0605	0.4648	0.626
Onchocerca volvulus	Cathepsin L homolog	0.0408	0.2489	0.1718
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0408	0.2489	1
Echinococcus multilocularis	cysteine protease	0.0408	0.2489	1
Onchocerca volvulus		0.0408	0.2489	0.1718
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0408	0.2489	1
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0605	0.4648	0.6238
Echinococcus multilocularis	cathepsin L cysteine protease	0.0408	0.2489	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0859	0.7426	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0605	0.4648	0.626
Mycobacterium ulcerans	polyketide synthase	0.0569	0.4249	0.5722
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0408	0.2489	0.1977
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0408	0.2489	1
Brugia malayi	Cathepsin L-like precursor	0.0408	0.2489	0.2489
Leishmania major	cysteine peptidase A (CPA)	0.0408	0.2489	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0273	0.1013	0.3182
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0454	0.2994	0.4032
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Leishmania major	cathepsin L-like protease	0.0408	0.2489	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0408	0.2489	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.037	0.2074	0.2793
Onchocerca volvulus		0.0408	0.2489	0.1718
Brugia malayi	AMP-binding enzyme family protein	0.0548	0.4026	0.4026
Loa Loa (eye worm)	hypothetical protein	0.0968	0.8616	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Brugia malayi	Cathepsin L-like precursor	0.0408	0.2489	0.2489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Onchocerca volvulus		0.0408	0.2489	0.1718
Mycobacterium ulcerans	polyketide synthase Pks9	0.037	0.2074	0.2793
Onchocerca volvulus	Fatty acid synthase homolog	0.1058	0.9603	1
Loa Loa (eye worm)	fatty acid synthase	0.0579	0.4362	0.4431
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0569	0.4249	0.5722
Leishmania major	cathepsin L-like protease	0.0408	0.2489	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0408	0.2489	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0408	0.2489	0.1977
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0381	0.2192	0.2726
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0605	0.4648	0.626
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0408	0.2489	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0408	0.2489	1
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0569	0.4251	0.5725
Leishmania major	cathepsin L-like protease	0.0408	0.2489	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.021	0.0325	0.0325
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0569	0.4249	0.5698
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0454	0.2994	0.4032
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0569	0.4249	0.5722
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0408	0.2489	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.0605	0.4648	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0548	0.4026	0.399
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0408	0.2489	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0422	0.2639	0.3554
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0454	0.2994	0.3998
Toxoplasma gondii	type I fatty acid synthase, putative	0.0418	0.2597	0.3927
Echinococcus multilocularis	cathepsin L cysteine protease	0.0408	0.2489	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0408	0.2489	1
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1013	0.0045
Brugia malayi	Cathepsin L-like precursor	0.0408	0.2489	0.2489
Loa Loa (eye worm)	ctsf protein	0.0408	0.2489	0.1977
Brugia malayi	Cathepsin L-like precursor	0.0273	0.1013	0.1013
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0569	0.4249	0.5722
Loa Loa (eye worm)	hypothetical protein	0.0311	0.1425	0.0584
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0408	0.2489	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0462	0.3079	0.4146
Trypanosoma cruzi	cysteine peptidase, putative	0.0408	0.2489	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0408	0.2489	1
Entamoeba histolytica	cysteine proteinase, putative	0.0273	0.1013	0.3182

Activities

No activities found for this compound.

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: CHEMBL2358410

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 1759785