TDR Targets

Basic information

Technical information

TDR Targets ID: 2132484
Name: 1-(1,2-Dimethoxy-12-methyl-12,13-dihydro-[1,3 ]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin- 13-yl)-propan-2-one
MW: 405.158 | Formula: C24H23NO5
H donors: 0 H acceptors: 1 LogP: 3.94 Rotable bonds: 4
Rule of 5 violations (Lipinski): 0
SMILES: COc1c(OC)ccc2c1C(CC(=O)C)N(C)c1c2ccc2c1cc1OCOc1c2
InChi: InChI=1S/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3
InChiKey: VGTQLFWIJIABSU-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

AIDS-166340
AIDS166340
(+/-)-6-Acetonyldihydrochelerythrine
6-Acetonyl-5,6-dihydrochelerythrine
C12200

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
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0067	0.4187	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0052	0.2906	0.5
Loa Loa (eye worm)	hypothetical protein	0.01	0.6925	1
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0052	0.2906	0.4196
Trypanosoma brucei	Metacaspase-4	0.0052	0.2906	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0067	0.4187	0.3378
Trypanosoma cruzi	metacaspase, putative	0.0052	0.2906	0.5
Plasmodium falciparum	metacaspase 1	0.0052	0.2906	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.1221	0.1764
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0052	0.2906	0.5
Echinococcus granulosus	caspase 8	0.0052	0.2906	0.1919
Echinococcus granulosus	caspase 2	0.01	0.6925	0.6497
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0052	0.2906	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0067	0.4187	0.5
Plasmodium falciparum	metacaspase-like protein	0.0052	0.2906	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2906	0.4196
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0067	0.4187	0.3378
Schistosoma mansoni	caspase-7 (C14 family)	0.01	0.6925	0.6497
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0067	0.4187	0.5
Trypanosoma brucei	metacaspase 5, putative	0.0052	0.2906	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.1221	0.1764
Schistosoma mansoni	hypothetical protein	0.0048	0.261	0.1581
Echinococcus multilocularis	caspase	0.0136	1	1
Echinococcus granulosus	caspase	0.0136	1	1
Onchocerca volvulus	Cell death protein 3 homolog	0.01	0.6925	1
Plasmodium vivax	hypothetical protein, conserved	0.0052	0.2906	0.5
Trypanosoma brucei	metacaspase MCA2	0.0052	0.2906	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.2906	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.2906	0.5
Schistosoma mansoni	caspase-3 (C14 family)	0.0136	1	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0052	0.2906	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1173	0.1694
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0052	0.2906	0.5
Loa Loa (eye worm)	hypothetical protein	0.0048	0.261	0.3769
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.2906	0.5
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0136	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.2906	0.5
Trypanosoma cruzi	metacaspase 5, putative	0.0052	0.2906	0.5
Plasmodium vivax	metacaspase 1, putative	0.0052	0.2906	0.5
Trypanosoma brucei	metacaspase	0.0052	0.2906	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0052	0.2906	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0052	0.2906	0.5
Trypanosoma cruzi	metacaspase, putative	0.0052	0.2906	0.5
Echinococcus multilocularis	caspase 3	0.0085	0.5685	0.5084
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.2906	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0067	0.4187	0.3378
Brugia malayi	intermediate filament protein	0.0031	0.1221	0.1764
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0052	0.2906	0.5
Trypanosoma cruzi	metacaspase 5, putative	0.0052	0.2906	0.5
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0052	0.2906	0.5
Onchocerca volvulus		0.0048	0.261	0.2434
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0048	0.261	0.1581
Brugia malayi	hypothetical protein	0.0048	0.261	0.3769
Echinococcus granulosus	caspase 3	0.0085	0.5685	0.5084
Brugia malayi	Cell death protein 3 precursor	0.01	0.6925	1
Echinococcus multilocularis	caspase 8	0.0052	0.2906	0.1919
Trypanosoma cruzi	metacaspase, putative	0.0052	0.2906	0.5
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0062	0.381	0.5502
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0067	0.4187	0.5
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0052	0.2906	0.1919
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1221	0.1764
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.2906	0.5
Schistosoma mansoni	caspase-7 (C14 family)	0.0136	1	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0052	0.2906	0.5
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0052	0.2906	0.5
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0067	0.4187	0.6046
Trypanosoma cruzi	metacaspase, putative	0.0052	0.2906	0.5
Trypanosoma brucei	metacaspase MCA3	0.0052	0.2906	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0052	0.2906	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.1221	0.1764
Echinococcus multilocularis	caspase 2	0.01	0.6925	0.6497
Echinococcus granulosus	apoptotic protease activating factor 1	0.0048	0.261	0.1581

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: CHEMBL3810342

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2132484