TDR Targets

Basic information

Technical information

TDR Targets ID: 1071093
Name: 5,6-dichloro-N-(4-phenylbutan-2-yl)pyridine-3 -carboxamide
MW: 323.217 | Formula: C16H16Cl2N2O
H donors: 1 H acceptors: 2 LogP: 4.46 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(NC(=O)c1cnc(c(c1)Cl)Cl)CCc1ccccc1
InChi: 1S/C16H16Cl2N2O/c1-11(7-8-12-5-3-2-4-6-12)20-16(21)13-9-14(17)15(18)19-10-13/h2-6,9-11H,7-8H2,1H3,(H,20,21)
InChiKey: JWEGIWPDAKYNAQ-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

5,6-dichloro-N-(1-methyl-3-phenyl-propyl)pyridine-3-carboxamide
5,6-dichloro-N-(1-methyl-3-phenylpropyl)-3-pyridinecarboxamide
5,6-dichloro-N-(1-methyl-3-phenyl-propyl)nicotinamide
T5370764

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	synuclein, alpha (non A4 component of amyloid precursor)	Starlite/ChEMBL	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
Brugia malayi	Cathepsin L-like precursor	0.0019	0.2116	0.4835
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.1188	0.3182
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0755	0.0793
Plasmodium vivax	vivapain-3	0.001	0.0755	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Trypanosoma cruzi	cysteine peptidase, putative	0.001	0.0755	0.053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1188	0.4593
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.2116	0.4138
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.2116	0.1924
Echinococcus granulosus	cpg binding protein	0.0034	0.4397	1
Plasmodium vivax	vivapain-1	0.001	0.0755	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Brugia malayi	CXXC zinc finger family protein	0.0032	0.4122	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0065	0.9072	0.905
Loa Loa (eye worm)	ctsf protein	0.0019	0.2116	0.4835
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0019	0.2116	0.4835
Echinococcus granulosus	cathepsin l1	0.0012	0.1188	0.1754
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0019	0.2116	1
Brugia malayi	cathepsin L-like precursor	0.0012	0.1188	0.2447
Schistosoma mansoni	cpg binding protein	0.0034	0.4397	0.4619
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.2116	0.4138
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0019	0.2116	0.4835
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0012	0.1188	0.2447
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.0755	0.2069
Onchocerca volvulus		0.0019	0.2116	0.3161
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.2116	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0019	0.2116	1
Onchocerca volvulus		0.0019	0.2116	0.3161
Echinococcus multilocularis	cysteine protease	0.0019	0.2116	0.4138
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0799	0.0754
Echinococcus granulosus	cysteine protease	0.001	0.0755	0.0642
Echinococcus granulosus	cathepsin l1	0.0019	0.2116	0.4138
Plasmodium vivax	vivapain-2	0.0019	0.2116	1
Schistosoma mansoni	cpg binding protein	0.0032	0.4122	0.4331
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.8427	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.2116	1
Entamoeba histolytica	cysteine protease, putative	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Onchocerca volvulus		0.0032	0.4122	1
Onchocerca volvulus		0.0019	0.2116	0.3161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Onchocerca volvulus		0.0019	0.2116	0.3161
Echinococcus multilocularis	cpg binding protein	0.0034	0.4397	1
Brugia malayi	Papain family cysteine protease containing protein	0.001	0.0755	0.1333
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.2116	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.2116	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2116	0.4835
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.2116	1
Brugia malayi	Cathepsin L-like precursor	0.0012	0.1188	0.2447
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.2116	0.2223
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1188	0.2447
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Echinococcus multilocularis	cysteine protease	0.0019	0.2116	0.4138
Schistosoma mansoni	cathepsin s	0.0006	0.0237	0.0249
Trypanosoma cruzi	cysteine protease, putative	0.001	0.0755	0.053
Schistosoma mansoni	cpg binding protein	0.0034	0.4397	0.4619
Echinococcus granulosus	cathepsin L	0.001	0.0755	0.0642
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.2116	1
Loa Loa (eye worm)	cysteine protease	0.0019	0.2116	0.4835
Echinococcus multilocularis	cathepsin L	0.001	0.0755	0.0642
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.2116	0.2223
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0019	0.2116	0.4138
Brugia malayi	Cathepsin L-like precursor	0.0019	0.2116	0.4835
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1188	0.2447
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0019	0.2116	0.4138
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0799	0.1445
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1188	0.4593
Plasmodium vivax	vivapain-2	0.0019	0.2116	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.2116	0.4835
Onchocerca volvulus		0.0019	0.2116	0.3161
Echinococcus granulosus	cathepsin L cysteine protease	0.001	0.0755	0.0642
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.001	0.0755	0.053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.2116	0.4835
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.2116	0.3161
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0799	0.0754
Trypanosoma cruzi	major cysteine proteinase, putative	0.0056	0.7712	0.7656
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.2116	0.4138
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.4122	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0012	0.1188	0.1248
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0755	0.0793
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.2116	0.3161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.2116	0.4835
Brugia malayi	Papain family cysteine protease containing protein	0.001	0.0755	0.1333
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.078	0.1396
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.2116	0.4138
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0505	0.0531
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.9518	1
Trypanosoma cruzi	cysteine proteinase, putative	0.001	0.0755	0.053
Brugia malayi	Cathepsin L-like precursor	0.0012	0.1188	0.2447
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Loa Loa (eye worm)	fibroinase	0.0019	0.2116	0.4835
Onchocerca volvulus	Cathepsin F homolog	0.0019	0.2116	0.3161
Onchocerca volvulus		0.0019	0.2116	0.3161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.0755	0.2069
Plasmodium vivax	unspecified product	0.001	0.0755	0.2757
Onchocerca volvulus		0.0019	0.2116	0.3161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.2116	1
Trypanosoma cruzi	cysteine proteinase, putative	0.001	0.0755	0.053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.2116	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.2116	0.4835
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0755	0.0793
Brugia malayi	Cathepsin L-like precursor	0.0019	0.2116	0.4835
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1188	0.2447

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1867501

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 1071093