TDR Targets

Basic information

Technical information

TDR Targets ID: 1473112
Name: N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabic yclo[3.2.1]oct-3-en-3-yl)benzamide
MW: 388.5 | Formula: C22H32N2O4
H donors: 0 H acceptors: 1 LogP: 3.45 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN(C(=O)c1cc(OC)c(c(c1)OC)OC)C1=CC2N(C(C1)CC2)C
InChi: 1S/C22H32N2O4/c1-6-7-10-24(18-13-16-8-9-17(14-18)23(16)2)22(25)15-11-19(26-3)21(28-5)20(12-15)27-4/h11-13,16-17H,6-10,14H2,1-5H3
InChiKey: LZYMPGNBBKVSQZ-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

BAS 01059561
Oprea1_195050
ST000055

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0026	0.0393	0.5
Brugia malayi	hypothetical protein	0.0039	0.1111	0.1368
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.1248	0.1248
Onchocerca volvulus		0.0026	0.0393	0.0484
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0121	0.5647	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0121	0.5647	1
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.0393	0.0484
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0137	0.6525	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0026	0.0393	0.0603
Onchocerca volvulus		0.0026	0.0393	0.0484
Trypanosoma cruzi	cruzipain precursor, putative	0.0026	0.0393	0.0393
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0137	0.6525	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0393	0.0484
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0393	0.0484
Onchocerca volvulus		0.0039	0.1111	0.1368
Plasmodium vivax	vivapain-2	0.0026	0.0393	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0393	0.0484
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0137	0.6525	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.0393	0.0697
Onchocerca volvulus		0.0026	0.0393	0.0484
Onchocerca volvulus		0.0093	0.4076	0.5017
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0393	0.0697
Onchocerca volvulus		0.0026	0.0393	0.0484
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0393	0.0603
Echinococcus granulosus	cathepsin b	0.0137	0.6525	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0393	0.0697
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0393	0.0697
Schistosoma mansoni	plexin	0.0093	0.4076	0.6247
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0393	0.0484
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0048	0.1619	0.2867
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0026	0.0393	0.0484
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0121	0.5647	1
Entamoeba histolytica	protein kinase domain containing protein	0.0021	0.0165	0.4197
Schistosoma mansoni	semaphorin 5-related	0.0039	0.1111	0.1704
Brugia malayi	hypothetical protein	0.0039	0.1111	0.1368
Brugia malayi	Plexin repeat family protein	0.0093	0.4076	0.5017
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0393	0.0697
Onchocerca volvulus		0.0026	0.0393	0.0484
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0393	0.0484
Loa Loa (eye worm)	ctsf protein	0.0026	0.0393	0.0484
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.0393	0.0484
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0137	0.6525	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.6604	0.6604
Onchocerca volvulus		0.0026	0.0393	0.0484
Entamoeba histolytica	cysteine protease, putative	0.0026	0.0393	1
Toxoplasma gondii	cathepsin B	0.0048	0.1619	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0393	0.0484
Echinococcus granulosus	plexin a4	0.011	0.5008	0.7676
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0393	0.0393
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0393	0.0697
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0048	0.1619	0.2482
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0048	0.1619	0.1619
Echinococcus granulosus	semaphorin 5B	0.0039	0.1111	0.1704
Toxoplasma gondii	hypothetical protein	0.0047	0.1581	0.9684
Entamoeba histolytica	tyrosin kinase, putative	0.0021	0.0165	0.4197
Schistosoma mansoni	hypothetical protein	0.0039	0.1111	0.1704
Loa Loa (eye worm)	hypothetical protein	0.0137	0.6525	0.803
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0393	1
Loa Loa (eye worm)	cathepsin B	0.0048	0.1619	0.1993
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0393	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0121	0.5647	0.6951
Loa Loa (eye worm)	fibroinase	0.0026	0.0393	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0105	0.4771	0.5872
Echinococcus multilocularis	hypothetical protein	0.0039	0.1111	0.1171
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0393	0.0697
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0393	0.0393
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.0393	0.0697
Brugia malayi	Sema domain containing protein	0.0039	0.1111	0.1368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.0121	0.5647	0.8569
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0393	0.0484
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0062	0.238	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0026	0.0393	0.5
Echinococcus granulosus	semaphorin 1A	0.0039	0.1111	0.1704
Brugia malayi	Sema domain containing protein	0.0039	0.1111	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1111	0.1368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0393	0.0393
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0393	0.0697
Brugia malayi	plexin A	0.011	0.5008	0.6164
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0393	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0166	0.8125	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0393	0.0697
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0026	0.0393	0.0603
Loa Loa (eye worm)	sema domain-containing protein	0.0039	0.1111	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1111	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1111	0.1368
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1111	0.1368
Brugia malayi	NAD-dependent deacetylase SIRT1	0.0121	0.5647	0.6951
Loa Loa (eye worm)	sema domain-containing protein	0.0039	0.1111	0.1368
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.1743	0.1743
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0137	0.6525	0.6525
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1948	0.2398
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.1248	0.1248
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.02	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1111	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0093	0.4076	0.5017
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0128	0.5996	0.7379
Mycobacterium ulcerans	hypothetical protein	0.0062	0.238	0.5
Loa Loa (eye worm)	STAT protein	0.0128	0.5996	0.7379
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Echinococcus granulosus	cathepsin b	0.0137	0.6525	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0026	0.0393	0.0484
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0393	0.0603
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0048	0.1619	0.1276
Schistosoma mansoni	hypothetical protein	0.0039	0.1111	0.1704
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0121	0.5647	1
Echinococcus multilocularis	cathepsin b	0.0137	0.6525	1
Echinococcus multilocularis	cathepsin b	0.0137	0.6525	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0048	0.1619	0.1276
Schistosoma mansoni	chromatin regulatory protein sir2	0.0121	0.5647	0.8655
Onchocerca volvulus	Cathepsin F homolog	0.0026	0.0393	0.0484
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0393	0.0697
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.02	1	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0139	0.6604	0.6465
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1111	0.1368
Onchocerca volvulus	Bile acid receptor homolog	0.0166	0.8125	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Echinococcus granulosus	cathepsin l1	0.0026	0.0393	0.0603
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0393	0.0697
Onchocerca volvulus		0.0026	0.0393	0.0484
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.6604	0.6465
Brugia malayi	cathepsin B-like cysteine proteinase	0.0137	0.6525	0.803
Brugia malayi	ecdysteroid receptor	0.0166	0.8125	1
Schistosoma mansoni	plexin	0.0054	0.1948	0.2986
Loa Loa (eye worm)	plexin A	0.011	0.5008	0.6164
Loa Loa (eye worm)	cysteine protease	0.0026	0.0393	0.0484
Echinococcus multilocularis	semaphorin 5B	0.0039	0.1111	0.1171
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0026	0.0393	0.5
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.1248	0.0889
Brugia malayi	Papain family cysteine protease containing protein	0.0026	0.0393	0.0484
Giardia lamblia	NAD-dependent histone deacetylase Sir2	0.0121	0.5647	1
Plasmodium vivax	vivapain-2	0.0026	0.0393	0.5
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.0121	0.5647	0.8655
Echinococcus multilocularis	plexin a4	0.011	0.5008	0.7527
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.02	1	1
Schistosoma mansoni	hypothetical protein	0.0054	0.1948	0.2986

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: CHEMBL1624108

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 1473112