TDR Targets

Basic information

Technical information

TDR Targets ID: 1434373
Name: 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino ]pyridin-2-yl]propanamide
MW: 311.378 | Formula: C18H21N3O2
H donors: 2 H acceptors: 3 LogP: 2.54 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(C(=O)Nc1ncc(c(c1)C)NC(=O)Cc1ccccc1)C
InChi: 1S/C18H21N3O2/c1-12(2)18(23)21-16-9-13(3)15(11-19-16)20-17(22)10-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,20,22)(H,19,21,23)
InChiKey: QWBLWMVHIOYAJB-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-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridyl]propanamide
2-methyl-N-[4-methyl-5-[(1-oxo-2-phenylethyl)amino]-2-pyridyl]propanamide
2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridyl]propionamide
2-methyl-N-[4-methyl-5-(2-phenylethanoylamino)pyridin-2-yl]propanamide
MLS000075695
N-(4-Methyl-5-phenylacetylamino-pyridin-2-yl)-isobutyramide
SMR000005519
ZINC01358398
ASN 05804179

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
Loa Loa (eye worm)	MH2 domain-containing protein	0.0107	0.1913	0.4901
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0177	0.3904	0.3904
Echinococcus granulosus	Zinc finger RanBP2 type	0.0063	0.0645	0.0645
Onchocerca volvulus		0.0063	0.0645	0.0486
Brugia malayi	YY1-associated factor 2	0.0063	0.0645	0.1651
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0645	0.5
Onchocerca volvulus		0.0063	0.0645	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0645	0.1651
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0063	0.0645	0.1651
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0645	0.1651
Echinococcus granulosus	ring and YY1 binding protein	0.0063	0.0645	0.0645
Onchocerca volvulus		0.0063	0.0645	0.0486
Schistosoma mansoni	TRABID protein (C64 family)	0.0063	0.0645	0.1651
Echinococcus granulosus	zinc finger protein Ran binding	0.0063	0.0645	0.0645
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0063	0.0645	0.5
Schistosoma mansoni	fusion	0.0063	0.0645	0.1651
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0645	0.5
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0063	0.0645	0.0645
Schistosoma mansoni	cellular tumor antigen P53	0.0057	0.0478	0.1224
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0063	0.0645	0.0645
Onchocerca volvulus		0.0063	0.0645	0.0486
Onchocerca volvulus		0.0177	0.3904	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0645	0.5
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0177	0.3904	0.3904
Echinococcus multilocularis	tumor protein p63	0.0389	1	1
Leishmania major	hypothetical protein, conserved	0.0063	0.0645	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0177	0.3904	0.5
Schistosoma mansoni	hypothetical protein	0.0177	0.3904	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0063	0.0645	0.0645
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0645	0.1651
Schistosoma mansoni	hypothetical protein	0.0177	0.3904	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0177	0.3904	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0063	0.0645	0.1651
Schistosoma mansoni	brg-1 associated factor	0.0177	0.3904	1
Plasmodium vivax	hypothetical protein, conserved	0.0177	0.3904	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0177	0.3904	1
Leishmania major	hypothetical protein, conserved	0.0063	0.0645	0.5
Schistosoma mansoni	RNA binding protein	0.0063	0.0645	0.1651
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0063	0.0645	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0063	0.0645	0.5
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0063	0.0645	0.5
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0177	0.3904	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0177	0.3904	0.3904
Trypanosoma cruzi	WLM domain containing protein, putative	0.0063	0.0645	0.5
Leishmania major	hypothetical protein, conserved	0.0063	0.0645	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0063	0.0645	0.1651
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0645	0.1651
Brugia malayi	SWIB/MDM2 domain containing protein	0.0177	0.3904	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0107	0.1913	0.4901
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0063	0.0645	0.0486
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0063	0.0645	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0478	0.1224
Schistosoma mansoni	hypothetical protein	0.0063	0.0645	0.1651
Chlamydia trachomatis	SWIB complex protein	0.0177	0.3904	0.5
Loa Loa (eye worm)	brahma associated protein	0.0177	0.3904	1
Schistosoma mansoni	hypothetical protein	0.0177	0.3904	1
Brugia malayi	brahma associated protein 60 kDa	0.0177	0.3904	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0177	0.3904	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0177	0.3904	0.3904
Trypanosoma brucei	hypothetical protein, conserved	0.0063	0.0645	0.5
Schistosoma mansoni	zinc finger protein	0.0063	0.0645	0.1651
Echinococcus granulosus	SWI:SNF matrix associated	0.0177	0.3904	0.3904
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0177	0.3904	1
Trypanosoma brucei	hypothetical protein, conserved	0.0063	0.0645	0.5
Chlamydia trachomatis	DNA topoisomerase I	0.0177	0.3904	0.5
Brugia malayi	MH2 domain containing protein	0.0107	0.1913	0.4901
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0063	0.0645	0.5
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0177	0.3904	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0063	0.0645	0.0645
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0063	0.0645	0.5
Echinococcus multilocularis	ring and YY1 binding protein	0.0063	0.0645	0.0645
Echinococcus multilocularis	SWI:SNF matrix associated	0.0177	0.3904	0.3904
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0063	0.0645	0.5
Leishmania major	hypothetical protein, conserved	0.0063	0.0645	0.5
Leishmania major	hypothetical protein, conserved	0.0063	0.0645	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0063	0.0645	0.1651
Brugia malayi	brahma associated protein 60 kDa	0.0177	0.3904	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0645	0.1651

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 50 uM	PUBCHEM_BIOASSAY: Factor XIIa Dose Response Confirmation from Single Well HTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID701]	ChEMBL.	No reference
Potency (functional)	0.1042 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1577559

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1434373