TDR Targets

Basic information

Technical information

TDR Targets ID: 1630907
Name: N-[(4-dimethylamino-1,3-diphenylbutan-2-ylide ne)amino]-2-pyridin-1-ium-1-ylacetamide chlor ide
MW: 436.977 | Formula: C25H29ClN4O
H donors: 1 H acceptors: 1 LogP: 4.69 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C[n+]1ccccc1)N/N=C(\C(c1ccccc1)CN(C)C)/Cc1ccccc1.[Cl-]
InChi: 1S/C25H28N4O.ClH/c1-28(2)19-23(22-14-8-4-9-15-22)24(18-21-12-6-3-7-13-21)26-27-25(30)20-29-16-10-5-11-17-29;/h3-17,23H,18-20H2,1-2H3;1H/b26-24-;
InChiKey: INTHIFGCWAWFNO-FSKGQQLBSA-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

N-[(1-benzyl-3-dimethylamino-2-phenyl-propylidene)amino]-2-pyridin-1-ium-1-yl-acetamide chloride
N-[(1-benzyl-3-dimethylamino-2-phenylpropylidene)amino]-2-(1-pyridin-1-iumyl)acetamide chloride
N-[(4-dimethylamino-1,3-diphenyl-butan-2-ylidene)amino]-2-pyridin-1-ium-1-yl-ethanamide chloride
NSC641836

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
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0283	0.3393	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0283	0.3393	0.3233
Echinococcus granulosus	thyroid hormone receptor alpha	0.0133	0.1441	0.3819
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0133	0.1441	0.1235
Schistosoma mansoni	retinoic acid receptor RXR	0.0283	0.3393	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0133	0.1441	0.3819
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0	0.5
Onchocerca volvulus	Protein ultraspiracle homolog	0.0283	0.3393	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0	0.5
Brugia malayi	orphan nuclear receptor NR2E1	0.0133	0.1441	0.4248
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0283	0.3393	1
Loa Loa (eye worm)	hypothetical protein	0.0149	0.165	0.4864
Brugia malayi	steroid hormone receptor	0.0283	0.3393	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0283	0.3393	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0133	0.1441	0.1235
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0283	0.3393	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0283	0.3393	1
Brugia malayi	tailless protein	0.0133	0.1441	0.4248
Brugia malayi	nuclear receptor NHR-88	0.0133	0.1441	0.4248
Onchocerca volvulus		0.0133	0.1441	0.4248
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0133	0.1441	0.4248
Loa Loa (eye worm)	hypothetical protein	0.0283	0.3393	1
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0311	0.0078
Brugia malayi	ecdysone receptor	0.0133	0.1441	0.4248
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0283	0.3393	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.3393	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0283	0.3393	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0133	0.1441	0.1235
Brugia malayi	Nuclear hormone receptor E75	0.0133	0.1441	0.4248
Schistosoma mansoni	nuclear receptor nhr-48	0.0133	0.1441	0.3857
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0283	0.3393	1
Brugia malayi	hypothetical protein	0.0149	0.165	0.4864
Schistosoma mansoni	thyroid hormone receptor	0.0283	0.3393	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0283	0.3393	1
Schistosoma mansoni	thyroid hormone receptor	0.0283	0.3393	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0283	0.3393	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0283	0.3393	1
Brugia malayi	ecdysteroid receptor	0.0283	0.3393	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0283	0.3393	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0283	0.3393	0.3233
Brugia malayi	Nuclear hormone receptor-like 1	0.0149	0.165	0.4864
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0133	0.1441	0.4248
Echinococcus granulosus	Niemann Pick C1 protein	0.0137	0.1486	0.3961
Loa Loa (eye worm)	hypothetical protein	0.0149	0.165	0.4864
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Loa Loa (eye worm)	hypothetical protein	0.0149	0.165	0.4864
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0283	0.3393	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.3393	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Brugia malayi	nuclear hormone receptor	0.0283	0.3393	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0283	0.3393	1
Brugia malayi	conserved hypotetical protein	0.0133	0.1441	0.4248
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0149	0.165	0.4515
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0283	0.3393	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0283	0.3393	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.3393	1
Brugia malayi	hypothetical protein	0.0133	0.1441	0.4248
Loa Loa (eye worm)	hypothetical protein	0.005	0.0356	0.105
Schistosoma mansoni	nuclear hormone receptor	0.0133	0.1441	0.3857
Echinococcus granulosus	expressed conserved protein	0.009	0.0874	0.2021
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0283	0.3393	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0236	0.0694
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0283	0.3393	1
Schistosoma mansoni	nuclear hormone receptor	0.0133	0.1441	0.3857
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0283	0.3393	0.3233
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0283	0.3393	0.3233
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0283	0.3393	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0149	0.165	0.4481
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0283	0.3393	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0283	0.3393	1
Schistosoma mansoni	nuclear receptor	0.0133	0.1441	0.3857
Schistosoma mansoni	nuclear receptor	0.0133	0.1441	0.3857
Brugia malayi	hypothetical protein	0.0149	0.165	0.4864
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.095	1
Onchocerca volvulus		0.0283	0.3393	1
Brugia malayi	nuclear receptor RXR	0.0133	0.1441	0.4248
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0283	0.3393	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0133	0.1441	0.3857
Brugia malayi	nuclear receptor NHR-67	0.0133	0.1441	0.4248
Loa Loa (eye worm)	steroid hormone receptor	0.0283	0.3393	1
Brugia malayi	hypothetical protein	0.0133	0.1441	0.4248
Loa Loa (eye worm)	hypothetical protein	0.0149	0.165	0.4864
Mycobacterium ulcerans	hypothetical protein	0.0023	0	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0283	0.3393	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0133	0.1441	0.3819
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.1486	0.1281
Loa Loa (eye worm)	nuclear hormone receptor	0.0133	0.1441	0.4248
Echinococcus multilocularis	FTZ F1 alpha	0.0283	0.3393	0.3233
Loa Loa (eye worm)	hypothetical protein	0.0149	0.165	0.4864
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0149	0.165	0.4515
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0283	0.3393	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0283	0.3393	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0283	0.3393	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0283	0.3393	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0283	0.3393	0.3233
Brugia malayi	nuclear hormone receptor family member odr-7	0.0133	0.1441	0.4248
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0283	0.3393	0.3233
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0133	0.1441	0.1235
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0133	0.1441	0.3819
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.095	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0283	0.3393	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0283	0.3393	0.3233
Schistosoma mansoni	nuclear hormone receptor	0.0283	0.3393	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0133	0.1441	0.4248
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0149	0.165	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0283	0.3393	1
Schistosoma mansoni	coup transcription factor	0.0283	0.3393	1
Schistosoma mansoni	zinc finger protein	0.0133	0.1441	0.3857
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0133	0.1441	0.4248
Loa Loa (eye worm)	hypothetical protein	0.0096	0.095	0.2799
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.0969	0.2369
Echinococcus multilocularis	nuclear receptor nhr 48	0.0133	0.1441	0.1235
Brugia malayi	photoreceptor-specific nuclear receptor	0.0283	0.3393	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0283	0.3393	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0283	0.3393	1
Schistosoma mansoni	patched 1	0.0041	0.0236	0.0061
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0283	0.3393	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0283	0.3393	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0236	0.0694
Brugia malayi	Nuclear hormone receptor-like 1	0.0149	0.165	0.4864
Brugia malayi	Nuclear hormone receptor E75	0.0133	0.1441	0.4248
Loa Loa (eye worm)	hypothetical protein	0.0283	0.3393	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0283	0.3393	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0133	0.1441	0.4248
Brugia malayi	nuclear receptor NHR-88	0.0283	0.3393	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0283	0.3393	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.095	0.0731
Echinococcus granulosus	nuclear receptor nhr 48	0.0133	0.1441	0.3819
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0133	0.1441	0.1235
Echinococcus multilocularis	ecdysone induced protein 78C	0.0283	0.3393	0.3233
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0283	0.3393	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0283	0.3393	1
Brugia malayi	Steroid receptor seven-up type 2	0.0283	0.3393	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0283	0.3393	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0133	0.1441	0.4248
Loa Loa (eye worm)	hypothetical protein	0.0283	0.3393	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0283	0.3393	1
Brugia malayi	CHE-14 protein	0.0041	0.0236	0.0694
Loa Loa (eye worm)	DR-78	0.0133	0.1441	0.4248
Brugia malayi	nuclear receptor RXR	0.0149	0.165	0.4864
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0133	0.1441	0.3819
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1441	0.4248
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0283	0.3393	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0283	0.3393	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0236	0.5
Brugia malayi	nuclear hormone receptor	0.0133	0.1441	0.4248
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0283	0.3393	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0149	0.165	0.4864
Echinococcus multilocularis	expressed conserved protein	0.009	0.0874	0.0654
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.095	0.2799
Onchocerca volvulus		0.0133	0.1441	0.4248
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0133	0.1441	0.3857

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	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: CHEMBL1995913

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 1630907