TDR Targets

Basic information

Technical information

TDR Targets ID: 849224
Name: [4-[6-(4-dimethylaminophenyl)pyran-2-ylidene] -1-cyclohexa-2,5-dienylidene]-dimethylazanium
MW: 319.42 | Formula: C21H23N2O+
H donors: 0 H acceptors: 0 LogP: 4.26 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1ccc(cc1)c1cccc([o+]1)c1ccc(cc1)N(C)C)C
InChi: 1S/C21H23N2O/c1-22(2)18-12-8-16(9-13-18)20-6-5-7-21(24-20)17-10-14-19(15-11-17)23(3)4/h5-15H,1-4H3/q+1
InChiKey: VLJGPSPNOMYCJE-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

[4-[6-(4-dimethylaminophenyl)pyran-2-ylidene]-1-cyclohexa-2,5-dienylidene]-dimethyl-ammonium
[4-[6-(4-dimethylaminophenyl)-2-pyranylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium
[4-[6-(4-dimethylaminophenyl)pyran-2-ylidene]-1-cyclohexa-2,5-dienylidene]-dimethyl-azanium
ZINC04059078
ChemDiv3_000426

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))	DNA polymerase		No references

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
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0311	1	1
Echinococcus granulosus	cathepsin b	0.0311	1	1
Plasmodium vivax	unspecified product	0.0069	0.1115	0.3477
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Entamoeba histolytica	cysteine protease, putative	0.0126	0.3206	1
Entamoeba histolytica	cysteine proteinase, putative	0.0087	0.178	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.3206	1
Leishmania major	cathepsin L-like protease	0.0126	0.3206	0.0613
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0069	0.1115	0.1115
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0126	0.3206	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0087	0.178	0.3182
Trypanosoma cruzi	cysteine peptidase, putative	0.0263	0.8236	0.8236
Loa Loa (eye worm)	hypothetical protein	0.0311	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0126	0.3206	0.2354
Brugia malayi	Papain family cysteine protease containing protein	0.0126	0.3206	0.3206
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0311	1	1
Toxoplasma gondii	cathepsin CPL	0.0126	0.3206	1
Giardia lamblia	Cathepsin B precursor	0.0117	0.2878	0.5
Onchocerca volvulus		0.0126	0.3206	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.3206	0.3206
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.3206	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Plasmodium vivax	vivapain-3	0.0069	0.1115	0.3477
Onchocerca volvulus		0.0126	0.3206	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Leishmania major	cathepsin L-like protease	0.0126	0.3206	0.0613
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0087	0.178	0.178
Plasmodium vivax	vivapain-2	0.0126	0.3206	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.3206	0.3206
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Plasmodium vivax	vivapain-2	0.0126	0.3206	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0126	0.3206	0.3206
Brugia malayi	Papain family cysteine protease containing protein	0.0069	0.1115	0.1115
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.3206	1
Entamoeba histolytica	cysteine proteinase, putative	0.0126	0.3206	1
Echinococcus multilocularis	cysteine protease	0.0126	0.3206	0.2354
Leishmania major	cathepsin L-like protease	0.0126	0.3206	0.0613
Echinococcus multilocularis	cathepsin L cysteine protease	0.0126	0.3206	0.2354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0126	0.3206	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.178	0.178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0167	0.4718	0.4718
Brugia malayi	Cathepsin L-like precursor	0.0087	0.178	0.178
Brugia malayi	cathepsin L-like precursor	0.0087	0.178	0.178
Entamoeba histolytica	cysteine proteinase, putative	0.0126	0.3206	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.3206	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0126	0.3206	0.2354
Loa Loa (eye worm)	cysteine protease	0.0126	0.3206	0.3206
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.3206	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0117	0.2878	0.2476
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.3206	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.3206	0.3206
Leishmania major	cathepsin L-like protease	0.0263	0.8236	1
Onchocerca volvulus		0.0126	0.3206	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.178	0.178
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0069	0.1115	0.1115
Onchocerca volvulus		0.0126	0.3206	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0117	0.2878	0.2878
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0126	0.3206	0.2354
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Brugia malayi	Cathepsin L-like precursor	0.0087	0.178	0.178
Leishmania major	cysteine peptidase A (CPA)	0.0126	0.3206	0.0613
Schistosoma mansoni	cathepsin F (C01 family)	0.0126	0.3206	0.3206
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0069	0.1115	0.1115
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0311	1	1
Echinococcus granulosus	cathepsin b	0.0311	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0126	0.3206	0.2354
Echinococcus multilocularis	cathepsin b	0.0311	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0126	0.3206	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Echinococcus multilocularis	cysteine protease	0.0126	0.3206	0.2354
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0087	0.178	0.178
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0311	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0069	0.1115	0.1115
Onchocerca volvulus		0.0126	0.3206	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0126	0.3206	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0225	0.681	0.681
Onchocerca volvulus		0.0126	0.3206	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0126	0.3206	0.3206
Echinococcus multilocularis	cathepsin b	0.0311	1	1
Onchocerca volvulus		0.0126	0.3206	1
Brugia malayi	Papain family cysteine protease containing protein	0.0069	0.1115	0.1115
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.3206	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0263	0.8236	0.8236
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0117	0.2878	0.843
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0126	0.3206	0.2354
Loa Loa (eye worm)	cathepsin B	0.0117	0.2878	0.2878
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0126	0.3206	0.3206
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Loa Loa (eye worm)	fibroinase	0.0126	0.3206	0.3206
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.3206	0.3206
Giardia lamblia	Cathepsin B precursor	0.0117	0.2878	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0126	0.3206	0.3206
Loa Loa (eye worm)	ctsf protein	0.0126	0.3206	0.3206
Trypanosoma cruzi	cysteine proteinase, putative	0.0069	0.1115	0.1115
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0126	0.3206	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.178	0.178
Trypanosoma cruzi	cysteine protease, putative	0.0069	0.1115	0.1115
Leishmania major	cathepsin L-like protease	0.0263	0.8236	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0069	0.1115	0.1115
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0117	0.2878	0.2878
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0087	0.178	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.3206	1
Brugia malayi	Cathepsin L-like precursor	0.0126	0.3206	0.3206
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0126	0.3206	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0263	0.8236	0.8236
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0311	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Echinococcus granulosus	cathepsin l1	0.0126	0.3206	0.2354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Onchocerca volvulus	Cathepsin L homolog	0.0126	0.3206	1
Leishmania major	cathepsin L-like protease	0.0126	0.3206	0.0613
Leishmania major	cathepsin L-like protease	0.0126	0.3206	0.0613
Brugia malayi	Cathepsin L-like precursor	0.0126	0.3206	0.3206
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0126	0.3206	1
Giardia lamblia	Cathepsin B precursor	0.0117	0.2878	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0126	0.3206	1
Plasmodium vivax	vivapain-1	0.0069	0.1115	0.3477
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Echinococcus granulosus	cathepsin l1	0.0087	0.178	0.0749
Brugia malayi	Cathepsin L-like precursor	0.0126	0.3206	0.3206
Trypanosoma cruzi	cysteine peptidase, putative	0.0263	0.8236	0.8236
Onchocerca volvulus	Cathepsin F homolog	0.0126	0.3206	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0069	0.1115	0.1115
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.8236	1
Leishmania major	cathepsin L-like protease	0.0263	0.8236	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3000 nM	Inhibition Assay	BINDINGDB.	No reference

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: CHEMBL494692
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 849224