TDR Targets

Basic information

Technical information

TDR Targets ID: 1327642
Name: 2-(2-hydroxyethylamino)-N-[3-(trifluoromethyl )phenyl]pyridine-3-carboxamide hydrochloride
MW: 361.747 | Formula: C15H15ClF3N3O2
H donors: 3 H acceptors: 3 LogP: 3.56 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCCNc1ncccc1C(=O)Nc1cccc(c1)C(F)(F)F.Cl
InChi: 1S/C15H14F3N3O2.ClH/c16-15(17,18)10-3-1-4-11(9-10)21-14(23)12-5-2-6-19-13(12)20-7-8-22;/h1-6,9,22H,7-8H2,(H,19,20)(H,21,23);1H
InChiKey: DKCFFKQGNXWEKH-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-hydroxyethylamino)-N-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxamide hydrochloride
2-(2-hydroxyethylamino)-N-[3-(trifluoromethyl)phenyl]nicotinamide hydrochloride
SMR000516073
2-(2-Hydroxy-ethylamino)-N-(3-trifluoromethyl-phenyl)-nicotinamide
MLS001211371

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
Echinococcus multilocularis	GPCR, family 2	0.0031	0.1396	0.2019
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.6916	0.6916
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.1396	0.2019
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0146	0.0146
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0089	0.0129
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0146	0.0212
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0146	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0146	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Schistosoma mansoni	dep domain containing protein	0.0009	0.0146	0.0212
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.6916	1
Schistosoma mansoni	hypothetical protein	0.0067	0.3439	0.4973
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0146	0.0212
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0089	0.0129
Echinococcus multilocularis	Smad4	0.0008	0.0089	0.0129
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.1396	0.2019
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0089	0.0129
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0146	0.0212
Brugia malayi	Smad1	0.0008	0.0089	0.0089
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0146	0.0212
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0009	0.0146	0.0212
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.6916	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0089	0.0129
Schistosoma mansoni	dishevelled	0.0009	0.0146	0.0212
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0009	0.0146	0.0212
Brugia malayi	MH2 domain containing protein	0.0116	0.6282	0.6282
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.6916	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0146	0.0212
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0146	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0146	0.0146
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0146	0.0212
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0146	0.0212
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.1396	0.1396
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Schistosoma mansoni	hypothetical protein	0.0031	0.1396	0.2019
Trypanosoma cruzi	hypothetical protein	0.0006	0	0.5
Brugia malayi	regulator of G-protein signaling egl-10	0.0009	0.0146	0.0146
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.6916	1
Entamoeba histolytica	hypothetical protein	0.0006	0	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0089	0.0089
Schistosoma mansoni	hypothetical protein	0.0031	0.1396	0.2019
Loa Loa (eye worm)	hypothetical protein	0.0067	0.3439	0.3439
Echinococcus granulosus	smad	0.0008	0.0089	0.0129
Brugia malayi	MH1 domain containing protein	0.0008	0.0089	0.0089
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.1396	0.2019
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0089	0.0129
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0006	0	0.5
Loa Loa (eye worm)	RNA binding protein	0.0127	0.6916	0.6916
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0146	0.0212
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0089	0.0129
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.6916	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.6282	0.6282
Loa Loa (eye worm)	Smad1	0.0008	0.0089	0.0089
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0089	0.0089
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Toxoplasma gondii	hypothetical protein	0.0009	0.0146	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.1396	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0097	0.5199	0.5199
Loa Loa (eye worm)	DIX domain-containing protein	0.0009	0.0146	0.0146
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.5199	0.5199
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0009	0.0146	0.0146
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.6916	1
Brugia malayi	MH2 domain containing protein	0.0008	0.0089	0.0089
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0089	0.0129
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.1396	0.2019
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0181	1	1
Schistosoma mansoni	dishevelled	0.0009	0.0146	0.0212
Brugia malayi	MH2 domain containing protein	0.0008	0.0089	0.0089
Echinococcus granulosus	Smad4	0.0008	0.0089	0.0129
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.1396	0.1396
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.6282	0.6282
Schistosoma mansoni	hypothetical protein	0.0031	0.1396	0.2019
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.3439	0.3439
Echinococcus granulosus	GPCR family 2	0.0031	0.1396	0.2019
Echinococcus granulosus	tar DNA binding protein	0.0127	0.6916	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Onchocerca volvulus		0.0009	0.0146	0.0146
Schistosoma mansoni	Smad4	0.0008	0.0089	0.0129
Brugia malayi	hypothetical protein	0.0009	0.0146	0.0146
Schistosoma mansoni	smad	0.0008	0.0089	0.0129
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Brugia malayi	DIX domain containing protein	0.0009	0.0146	0.0146
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.5199	0.5199
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.5199	0.5199
Trypanosoma cruzi	guanine nucleotide releasing protein, putative	0.0006	0	0.5
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0146	0.0146
Schistosoma mansoni	hypothetical protein	0.0031	0.1396	0.2019
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0009	0.0146	0.0146
Brugia malayi	hypothetical protein	0.0009	0.0146	0.0146
Brugia malayi	MH1 domain containing protein	0.0008	0.0089	0.0089
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0006	0	0.5
Brugia malayi	TAR-binding protein	0.0127	0.6916	0.6916
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.6916	0.6916
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1396	0.1396
Echinococcus multilocularis	smad	0.0008	0.0089	0.0129
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0146	0.0212
Trypanosoma cruzi	hypothetical protein	0.0006	0	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0089	0.0129
Brugia malayi	RNA binding protein	0.0127	0.6916	0.6916
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0181	1	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0006	0	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.6916	0.6916

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.6511 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 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)	25.1189 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1454298

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1327642