TDR Targets

Basic information

Technical information

TDR Targets ID: 1722214
Name: (3E,6S,9aR)-3-[[3-methoxy-4-(4-methylimidazol -1-yl)phenyl]methylidene]-6-(3,4,5-trifluorop henyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4 -one
MW: 481.509 | Formula: C27H26F3N3O2
H donors: 0 H acceptors: 2 LogP: 5.07 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1n1cnc(c1)C)/C=C/1\CC[C@@H]2N(C1=O)[C@@H](CCC2)c1cc(F)c(c(c1)F)F
InChi: 1S/C27H26F3N3O2/c1-16-14-32(15-31-16)24-9-6-17(11-25(24)35-2)10-18-7-8-20-4-3-5-23(33(20)27(18)34)19-12-21(28)26(30)22(29)13-19/h6,9-15,20,23H,3-5,7-8H2,1-2H3/b18-10+/t20-,23+/m1/s1
InChiKey: OEGOQWAVAIQEEI-WAOGHSPASA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

(3E,6S,9aR)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
(3E,6S,9aR)-3-[[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]methylene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
(3E,6S,9aR)-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzylidene]-6-(3,4,5-trifluorophenyl)quinolizidin-4-one

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
Onchocerca volvulus		0.0166	0.2614	1
Trichomonas vaginalis	chromobox protein, putative	0.0032	0.0339	0.3419
Entamoeba histolytica	hypothetical protein	0.0027	0.0258	0.5
Brugia malayi	chromobox protein homolog 3	0.0029	0.0302	0.1113
Brugia malayi	Muscleblind-like protein	0.0112	0.1703	0.65
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1703	0.6487
Echinococcus granulosus	chromobox protein 1	0.0052	0.0691	0.2579
Schistosoma mansoni	aldehyde dehydrogenase	0.0035	0.0405	0.1551
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Schistosoma mansoni	peroxidasin	0.0166	0.2614	1
Schistosoma mansoni	peroxidasin	0.0166	0.2614	1
Brugia malayi	Animal haem peroxidase family protein	0.0166	0.2614	1
Schistosoma mansoni	chromobox protein	0.0052	0.0691	0.2643
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0027	0.0262	0.024
Echinococcus multilocularis	peroxidasin	0.0166	0.2614	0.2597
Brugia malayi	Peroxidasin	0.0166	0.2614	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0068	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0052	0.0691	0.2579
Echinococcus multilocularis	chromobox protein 1	0.0052	0.0691	0.067
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.006	0.0818	0.0797
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0028	0.0282	0.1037
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0029	0.0302	0.0443
Loa Loa (eye worm)	animal heme peroxidase	0.0166	0.2614	1
Brugia malayi	hypothetical protein	0.0138	0.2142	0.8185
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0126	0.04
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0017	0.0092	0.0352
Echinococcus granulosus	fetal alzheimer antigen falz	0.0017	0.0092	0.0269
Onchocerca volvulus	Peroxidase homolog	0.0166	0.2614	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0035	0.0405	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.006	0.0818	0.3128
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0035	0.0405	0.0384
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0017	0.0092	0.007
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.006	0.0818	0.3128
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0035	0.0405	0.5
Entamoeba histolytica	hypothetical protein	0.0027	0.0258	0.5
Onchocerca volvulus	Peroxidase homolog	0.0166	0.2614	1
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0138	0.2142	0.2124
Brugia malayi	PHD-finger family protein	0.0019	0.0122	0.0422
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Brugia malayi	Animal haem peroxidase family protein	0.0166	0.2614	1
Loa Loa (eye worm)	animal heme peroxidase	0.0166	0.2614	1
Schistosoma mansoni	chromobox protein	0.0052	0.0691	0.2643
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.006	0.0818	0.3069
Brugia malayi	Bromodomain containing protein	0.0056	0.0758	0.2868
Echinococcus granulosus	zinc finger protein	0.0015	0.0054	0.0124
Echinococcus multilocularis	zinc finger protein	0.0015	0.0054	0.0032
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0013	0.0022	0.0085
Entamoeba histolytica	hypothetical protein	0.0027	0.0258	0.5
Entamoeba histolytica	hypothetical protein	0.0027	0.0258	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0166	0.2614	1
Schistosoma mansoni	transcription factor LCR-F1	0.0027	0.0258	0.0987
Onchocerca volvulus	Chorion peroxidase homolog	0.0166	0.2614	1
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0302	0.2714
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0035	0.0405	0.1479
Brugia malayi	Heterochromatin protein 1	0.0052	0.0691	0.2608
Brugia malayi	Animal haem peroxidase family protein	0.0166	0.2614	1
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0019	0.0126	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0195	0.0665
Echinococcus granulosus	peroxidasin	0.0166	0.2614	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0027	0.0258	0.0909
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0013	0.0022	0.0085
Schistosoma mansoni	zinc finger protein	0.0015	0.0054	0.0208
Trypanosoma cruzi	PAB1-binding protein , putative	0.0019	0.0126	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0027	0.0258	0.0236
Echinococcus multilocularis	geminin	0.0126	0.1936	0.1918
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Brugia malayi	Animal haem peroxidase family protein	0.0166	0.2614	1
Onchocerca volvulus		0.0166	0.2614	1
Loa Loa (eye worm)	PHD-finger family protein	0.0016	0.0068	0.0175
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0027	0.0262	0.0925
Plasmodium vivax	ataxin-2 like protein, putative	0.0019	0.0126	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0035	0.0405	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0032	0.0339	0.3419
Loa Loa (eye worm)	animal heme peroxidase	0.0166	0.2614	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0013	0.0022	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0302	0.1079
Echinococcus multilocularis	chromobox protein 1	0.0052	0.0691	0.067
Schistosoma mansoni	hypothetical protein	0.0126	0.1936	0.7406
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0032	0.0339	0.0599
Echinococcus multilocularis	muscleblind protein	0.0112	0.1703	0.1685
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.006	0.0818	0.3069
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.006	0.0818	0.3069
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Echinococcus granulosus	chromobox protein 1	0.0052	0.0691	0.2579
Trichomonas vaginalis	chromobox protein, putative	0.0052	0.0691	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.006	0.0818	0.3096
Brugia malayi	Animal haem peroxidase family protein	0.0166	0.2614	1
Loa Loa (eye worm)	bromodomain containing protein	0.0013	0.003	0.003
Loa Loa (eye worm)	blistered cuticle protein 3	0.0166	0.2614	1
Brugia malayi	hypothetical protein	0.0027	0.0258	0.0944
Brugia malayi	hypothetical protein	0.0019	0.0126	0.0436
Schistosoma mansoni	aldehyde dehydrogenase	0.0035	0.0405	0.1551
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Echinococcus granulosus	geminin	0.0126	0.1936	0.7384
Trypanosoma cruzi	PAB1-binding protein , putative	0.0019	0.0126	1
Echinococcus multilocularis	muscleblind protein 1	0.0112	0.1703	0.1685
Onchocerca volvulus		0.0166	0.2614	1
Onchocerca volvulus	Dual oxidase homolog	0.0166	0.2614	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1703	0.6487
Onchocerca volvulus	Peroxidasin homolog	0.0166	0.2614	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0019	0.0126	0.5
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0323	0.1161
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0347	0.1255
Schistosoma mansoni	hypothetical protein	0.0126	0.1936	0.7406
Loa Loa (eye worm)	animal heme peroxidase	0.0166	0.2614	1
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2614	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0704	0.2631
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2142	0.8178
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0293	0.1045
Echinococcus granulosus	survival motor neuron protein 1	0.0138	0.2142	0.8178
Trichomonas vaginalis	chromobox protein, putative	0.0052	0.0691	1
Schistosoma mansoni	bromodomain containing protein	0.0048	0.061	0.2332
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0035	0.0405	0.5
Brugia malayi	Bromodomain containing protein	0.0029	0.0292	0.1076
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.006	0.0818	0.0797
Echinococcus granulosus	muscleblind protein	0.0112	0.1703	0.6487
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0035	0.0405	1
Schistosoma mansoni	hypothetical protein	0.0028	0.0282	0.1079
Brugia malayi	hypothetical protein	0.0166	0.2614	1
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0302	0.2714
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0045	0.0564	0.0543
Brugia malayi	Blistered cuticle protein 3	0.0166	0.2614	1
Leishmania major	hypothetical protein, conserved	0.0019	0.0126	0.3104
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0035	0.0405	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.006	0.0818	0.3128
Schistosoma mansoni	hypothetical protein	0.0027	0.0258	0.0987
Schistosoma mansoni	survival motor neuron protein	0.0028	0.0282	0.1079
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0045	0.0564	0.2091
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0013	0.0022	0.0085
Onchocerca volvulus		0.0028	0.0282	0.0362
Trypanosoma brucei	PAB1-binding protein , putative	0.0019	0.0126	1

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: CHEMBL2151106

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 1722214