TDR Targets

Basic information

Technical information

TDR Targets ID: 1622869
Name: 4-(3,4-dichlorophenyl)-2,6-dimethyl-N,N'-bis( phenylmethyl)-1,4-dihydropyridine-3,5-dicarbo xamide
MW: 520.45 | Formula: C29H27Cl2N3O2
H donors: 3 H acceptors: 2 LogP: 5.65 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CC1=C(C(=O)NCc2ccccc2)C(C(=C(N1)C)C(=O)NCc1ccccc1)c1ccc(c(c1)Cl)Cl
InChi: 1S/C29H27Cl2N3O2/c1-18-25(28(35)32-16-20-9-5-3-6-10-20)27(22-13-14-23(30)24(31)15-22)26(19(2)34-18)29(36)33-17-21-11-7-4-8-12-21/h3-15,27,34H,16-17H2,1-2H3,(H,32,35)(H,33,36)
InChiKey: GXLKODREDDTNBO-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

N,N'-bis(benzyl)-4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
NSC633941
N~3~,N~5~-Dibenzyl-4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide
NCI60_011277
AIDS-134902
AIDS134902

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
Toxoplasma gondii	sugar transporter ST1	0.0904	0.385	0.5
Brugia malayi	Sugar transporter family protein	0.0904	0.385	1
Trypanosoma brucei	glucose transporter, putative	0.0904	0.385	0.5
Leishmania major	glucose transporter, lmgt2	0.0904	0.385	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0904	0.385	1
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0904	0.385	0.5
Echinococcus granulosus	solute carrier family 22	0.0904	0.385	0.385
Trypanosoma brucei	sugar transporter, putative	0.0904	0.385	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0904	0.385	0.385
Onchocerca volvulus		0.0904	0.385	0.5
Mycobacterium ulcerans	integral membrane transport protein	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Leishmania major	glucose transporter, lmgt3	0.0904	0.385	1
Trypanosoma cruzi	hexose transporter	0.0904	0.385	0.5
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0904	0.385	1
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Trypanosoma brucei	glucose transporter, putative	0.0904	0.385	0.5
Giardia lamblia	Hexose transporter	0.0904	0.385	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0904	0.385	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0904	0.385	1
Loa Loa (eye worm)	sugar transporter	0.0904	0.385	1
Brugia malayi	major facilitator superfamily protein	0.0904	0.385	1
Trypanosoma brucei	glucose transporter, putative	0.0904	0.385	0.5
Trypanosoma brucei	glucose transporter, putative	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Trypanosoma cruzi	glucose transporter, putative	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Echinococcus granulosus	solute carrier family 22	0.0904	0.385	0.385
Brugia malayi	Major Facilitator Superfamily protein	0.0904	0.385	1
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0904	0.385	0.385
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Plasmodium falciparum	hexose transporter	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Schistosoma mansoni	sugar transporter	0.0904	0.385	0.5
Trypanosoma brucei	glucose transporter, putative	0.0904	0.385	0.5
Leishmania major	glucose transporter, lmgt1	0.0904	0.385	1
Schistosoma mansoni	sugar transporter	0.0904	0.385	0.5
Onchocerca volvulus	Putative transporter	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Echinococcus multilocularis	solute carrier family 22	0.0904	0.385	1
Plasmodium vivax	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	myo-inositol transporter, putative	0.0904	0.385	0.5
Echinococcus multilocularis	solute carrier family 22	0.0904	0.385	1
Loa Loa (eye worm)	sugar transporter	0.0904	0.385	1
Onchocerca volvulus		0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Onchocerca volvulus		0.0904	0.385	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0904	0.385	0.5
Echinococcus granulosus	solute carrier family 22	0.0904	0.385	0.385
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Trypanosoma cruzi	sugar transporter, putative	0.0904	0.385	0.5
Schistosoma mansoni	sugar transporter	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Trypanosoma cruzi	hexose transporter, putative	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0904	0.385	0.5
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0904	0.385	1
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0904	0.385	0.385
Brugia malayi	hypothetical protein	0.0904	0.385	1
Onchocerca volvulus		0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0904	0.385	1
Brugia malayi	Sugar transporter family protein	0.0904	0.385	1
Brugia malayi	major facilitator superfamily protein	0.0904	0.385	1
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Brugia malayi	hypothetical protein	0.0904	0.385	1
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0904	0.385	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0904	0.385	0.385
Trichomonas vaginalis	glucose transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Echinococcus multilocularis	solute carrier family 22	0.0904	0.385	1
Schistosoma mansoni	hypothetical protein	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trypanosoma brucei	glucose transporter, putative	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0904	0.385	1
Brugia malayi	Major Facilitator Superfamily protein	0.0904	0.385	1
Trichomonas vaginalis	conserved hypothetical protein	0.0904	0.385	0.5
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0904	0.385	0.5
Leishmania major	hypothetical protein, conserved	0.0904	0.385	1
Trypanosoma cruzi	hexose transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transport protein, putative	0.0904	0.385	0.5
Trypanosoma brucei	glucose transporter, putative	0.0904	0.385	0.5
Schistosoma mansoni	glucose transporter	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0904	0.385	1
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Onchocerca volvulus		0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	glucose transporter, putative	0.0904	0.385	0.5
Echinococcus granulosus	synaptic vesicle 2 protein	0.0904	0.385	0.385
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Echinococcus granulosus	solute carrier family 22	0.0904	0.385	0.385
Brugia malayi	hypothetical protein	0.0904	0.385	1
Trypanosoma brucei	glucose transporter 2A	0.0904	0.385	0.5
Schistosoma mansoni	glucose transport protein	0.0904	0.385	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0904	0.385	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0904	0.385	0.5
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0904	0.385	0.5
Echinococcus multilocularis	solute carrier family 22	0.0904	0.385	1
Schistosoma mansoni	glucose transport protein	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Leishmania major	myo-inositol/proton symporter (MIT)	0.0904	0.385	1
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0904	0.385	0.5
Toxoplasma gondii	sugar transporter ST2	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Schistosoma mansoni	sugar transporter	0.0904	0.385	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0904	0.385	1
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Brugia malayi	Sugar transporter family protein	0.0904	0.385	1
Trypanosoma brucei	glucose transporter 1E	0.0904	0.385	0.5
Onchocerca volvulus		0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Giardia lamblia	Sugar-proton symporter	0.0904	0.385	0.5
Toxoplasma gondii	sugar transporter ST3	0.0904	0.385	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0904	0.385	0.5
Mycobacterium ulcerans	sugar transporter	0.0904	0.385	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trypanosoma brucei	glucose transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0904	0.385	0.5
Brugia malayi	Major Facilitator Superfamily protein	0.0904	0.385	1
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Plasmodium vivax	hexose transporter	0.0904	0.385	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0904	0.385	0.5
Loa Loa (eye worm)	hypothetical protein	0.0904	0.385	1
Toxoplasma gondii	transporter, major facilitator family protein	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	glucose transporter, putative	0.0904	0.385	0.5
Toxoplasma gondii	facilitative glucose transporter GT1	0.0904	0.385	0.5
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0904	0.385	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0904	0.385	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0904	0.385	0.385
Schistosoma mansoni	glucose transport protein	0.0904	0.385	0.5
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0904	0.385	1

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: CHEMBL1969068

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 1622869