TDR Targets

Basic information

Technical information

TDR Targets ID: 841012
Name: 2,2-dichloro-N,N'-bis(4-methylphenyl)propaned iamide
MW: 351.227 | Formula: C17H16Cl2N2O2
H donors: 2 H acceptors: 2 LogP: 5.17 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(C(=O)Nc1ccc(cc1)C)(Cl)Cl)Nc1ccc(cc1)C
InChi: 1S/C17H16Cl2N2O2/c1-11-3-7-13(8-4-11)20-15(22)17(18,19)16(23)21-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChiKey: AOGWLRPUJNYFBM-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

2,2-dichloro-N,N'-bis(4-methylphenyl)malonamide
ZINC00823277
BAS 00096440
CBMicro_019496
2,2-Dichloro-N,N'-di-p-tolyl-malonamide
BIM-0019347.P001

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	inositol monophosphatase	0.0043	0.0122	0.01
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0122	0.5
Brugia malayi	Carboxylesterase family protein	0.0408	1	1
Brugia malayi	RNA, U transporter 1	0.008	0.1117	0.1097
Echinococcus granulosus	Niemann Pick C1 protein	0.0107	0.1855	0.1837
Brugia malayi	Carboxylesterase family protein	0.0069	0.0826	0.0806
Onchocerca volvulus		0.0069	0.0826	1
Loa Loa (eye worm)	carboxylesterase	0.0069	0.0826	0.0806
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0164	0.0142
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0069	0.0826	0.0806
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0339	0.8118	0.8113
Brugia malayi	Inositol-1	0.0043	0.0122	0.01
Echinococcus granulosus	sterol regulatory element binding protein	0.0046	0.0203	0.0181
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0122	0.5
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.0122	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0164	0.0142
Echinococcus multilocularis	expressed conserved protein	0.0101	0.1679	0.1661
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0069	0.0826	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0046	0.0203	0.0181
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0046	0.0203	0.0181
Loa Loa (eye worm)	inositol-1	0.0043	0.0122	0.01
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0826	0.0806
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.0928	0.0908
Echinococcus multilocularis	carboxylesterase 5A	0.0408	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0106	0.1838	0.182
Echinococcus multilocularis	Niemann Pick C1 protein	0.0107	0.1855	0.1837
Brugia malayi	Carboxylesterase family protein	0.0069	0.0826	0.0806
Loa Loa (eye worm)	carboxylesterase	0.0408	1	1
Echinococcus granulosus	acetylcholinesterase	0.0408	1	1
Schistosoma mansoni	hypothetical protein	0.0044	0.0158	0.0137
Brugia malayi	Carboxylesterase family protein	0.0069	0.0826	0.0806
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.0826	0.0806
Echinococcus multilocularis	acetylcholinesterase	0.0408	1	1
Echinococcus granulosus	Protein patched homolog 1	0.0046	0.0203	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1855	0.1837
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.0826	0.0806
Mycobacterium ulcerans	carboxylesterase, LipT	0.0069	0.0826	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0069	0.0826	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0043	0.0122	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1838	0.182
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0826	0.0806
Brugia malayi	CHE-14 protein	0.0046	0.0203	0.0181
Loa Loa (eye worm)	acetylcholinesterase 1	0.0408	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0069	0.0826	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0339	0.8118	0.8113
Brugia malayi	Niemann-Pick C1 protein precursor	0.0107	0.1855	0.1837
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0482	0.0461
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0122	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0164	0.0142
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0339	0.8118	0.8113
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0826	0.0806
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0092	0.007
Schistosoma mansoni	BC026374 protein (S09 family)	0.0069	0.0826	0.0806
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0928	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0408	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0164	0.0142
Schistosoma mansoni	acetylcholinesterase	0.0069	0.0826	0.0806
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0299	0.7052	0.7046
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0122	0.5
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0069	0.0826	0.0806
Schistosoma mansoni	hypothetical protein	0.0044	0.0158	0.0137
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0164	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0203	0.0181
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0106	0.1838	0.182
Onchocerca volvulus		0.0069	0.0826	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0164	0.0142
Echinococcus granulosus	Niemann Pick C1 protein	0.0153	0.3097	0.3081
Echinococcus granulosus	snurportin 1	0.0299	0.7052	0.7046
Schistosoma mansoni	patched 1	0.0046	0.0203	0.0181
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0164	0.0142
Brugia malayi	Carboxylesterase family protein	0.0069	0.0826	0.0806
Echinococcus multilocularis	neuroligin	0.0069	0.0826	0.0806
Brugia malayi	hypothetical protein	0.0042	0.0092	0.007
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.0122	0.01
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0339	0.8118	0.8113
Onchocerca volvulus		0.0069	0.0826	1
Loa Loa (eye worm)	carboxylesterase	0.0069	0.0826	0.0806
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0408	1	1
Echinococcus multilocularis	protein patched	0.0046	0.0203	0.0181
Onchocerca volvulus		0.0069	0.0826	1
Onchocerca volvulus		0.0069	0.0826	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0069	0.0826	0.0806
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0109	0.19	0.1882
Echinococcus multilocularis	Niemann Pick C1 protein	0.0153	0.3097	0.3081
Echinococcus multilocularis	acetylcholinesterase	0.0408	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0092	0.007
Echinococcus granulosus	acetylcholinesterase	0.0408	1	1
Echinococcus multilocularis	snurportin 1	0.0299	0.7052	0.7046
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0106	0.1838	0.182
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.0122	0.01
Echinococcus granulosus	expressed conserved protein	0.0101	0.1679	0.1661
Schistosoma mansoni	hypothetical protein	0.0044	0.0158	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0826	0.0806
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0069	0.0826	0.0806
Schistosoma mansoni	gliotactin	0.0069	0.0826	0.0806
Trichomonas vaginalis	spcc417.12 protein, putative	0.0069	0.0826	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0358	0.8633	0.863
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0107	0.1855	1
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0122	0.01
Echinococcus multilocularis	protein dispatched 1	0.0052	0.0378	0.0357
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0069	0.0826	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.0826	0.0806
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0043	0.0122	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0164	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0826	0.0806
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0069	0.0826	0.0806
Echinococcus granulosus	BC026374 protein S09 family	0.0069	0.0826	0.0806
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0339	0.8118	0.8113
Brugia malayi	hypothetical protein	0.0069	0.0826	0.0806
Schistosoma mansoni	hypothetical protein	0.0073	0.0928	0.0908
Echinococcus granulosus	neuroligin	0.0069	0.0826	0.0806
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0164	0.0142
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0203	0.1155
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0826	0.0806
Schistosoma mansoni	hypothetical protein	0.0299	0.7052	0.7046
Echinococcus granulosus	carboxylesterase 5A	0.0408	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0092	0.007
Schistosoma mansoni	hypothetical protein	0.0044	0.0158	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0408	1	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0826	0.0806
Echinococcus multilocularis	para nitrobenzyl esterase	0.0069	0.0826	0.0806
Schistosoma mansoni	hypothetical protein	0.0042	0.0092	0.007

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 841012