Detailed information for compound 1703755

Basic information

Technical information
  • TDR Targets ID: 1703755
  • Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]a cetamide
  • MW: 238.594 | Formula: C8H6ClF3N2O
  • H donors: 1 H acceptors: 2 LogP: 1.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Cc1ncc(cc1Cl)C(F)(F)F
  • InChi: 1S/C8H6ClF3N2O/c9-5-1-4(8(10,11)12)3-14-6(5)2-7(13)15/h1,3H,2H2,(H2,13,15)
  • InChiKey: KUYHPTSOTBSQCO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]acetamide
  • 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethanamide
  • ZINC02383829
  • 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
  • MLS000721088
  • SMR000335280
  • 2P-736

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Echinococcus multilocularis integrin beta 2 0.0232 0.0982 0.5447
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Loa Loa (eye worm) integrin beta-2 0.0313 0.1428 0.1428
Echinococcus multilocularis integrin alpha ps 0.0068 0.0084 0.0303
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Brugia malayi Protein kinase domain containing protein 0.0376 0.1777 0.1777
Loa Loa (eye worm) TK/ROR protein kinase 0.0376 0.1777 0.1777
Plasmodium falciparum plasmepsin VI 0.0261 0.1146 0.1353
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.0617 0.1615
Plasmodium falciparum plasmepsin IX 0.0303 0.1375 0.1832
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0059 0.0031 0.0081
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0165 0.0617 0.3357
Loa Loa (eye worm) hypothetical protein 0.012 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0144 0.0498 0.0498
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.0111 0.0111
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0144 0.0498 0.1305
Toxoplasma gondii aspartyl protease ASP5 0.0869 0.4491 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.0617 0.1615
Plasmodium falciparum plasmepsin V 0.1013 0.5282 1
Brugia malayi Kringle domain containing protein 0.0376 0.1777 0.1777
Loa Loa (eye worm) hypothetical protein 0.0376 0.1777 0.1777
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0376 0.1777 0.2672
Toxoplasma gondii aspartyl protease 0.0144 0.0498 0.0884
Loa Loa (eye worm) hypothetical protein 0.0073 0.0111 0.0111
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0144 0.0498 0.1305
Echinococcus multilocularis glycoprotein Antigen 5 0.0165 0.0617 0.3357
Schistosoma mansoni integrin alpha 0.0153 0.0547 0.1432
Brugia malayi Trypsin-like protease protein 5 0.0165 0.0617 0.0617
Plasmodium falciparum plasmepsin IV 0.0261 0.1146 0.1353
Schistosoma mansoni cathepsin D (A01 family) 0.0748 0.382 1
Brugia malayi Trypsin family protein 0.0254 0.1103 0.1103
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0254 0.1103 0.2888
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0261 0.1146 0.2999
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Toxoplasma gondii aspartyl protease ASP3 0.0303 0.1375 0.2885
Plasmodium vivax plasmepsin V, putative 0.1013 0.5282 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0261 0.1146 0.2363
Echinococcus multilocularis calpain A 0.0059 0.0032 0.0007
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.0617 0.1615
Plasmodium falciparum plasmepsin I 0.0261 0.1146 0.1353
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0144 0.0498 0.1305
Schistosoma mansoni memapsin-2 (A01 family) 0.0144 0.0498 0.1305
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0165 0.0617 0.3357
Brugia malayi hypothetical protein 0.0165 0.0617 0.0617
Loa Loa (eye worm) hypothetical protein 0.0254 0.1103 0.1103
Onchocerca volvulus 0.0088 0.0193 0.0494
Echinococcus granulosus calpain A 0.0059 0.0032 0.0007
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0144 0.0498 0.1305
Loa Loa (eye worm) hypothetical protein 0.0165 0.0617 0.0617
Echinococcus multilocularis enteropeptidase 0.0165 0.0617 0.3357
Plasmodium vivax plasmepsin IV, putative 0.0261 0.1146 0.1353
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0144 0.0498 0.1305
Brugia malayi Eukaryotic aspartyl protease family protein 0.0144 0.0498 0.0498
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Echinococcus multilocularis integrin alpha ps 0.0068 0.0084 0.0303
Schistosoma mansoni cathepsin D (A01 family) 0.0748 0.382 1
Echinococcus granulosus integrin alpha 3 0.0117 0.0351 0.1834
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0165 0.0617 0.1615
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0165 0.0617 0.3357
Schistosoma mansoni hypothetical protein 0.0165 0.0617 0.1615
Loa Loa (eye worm) trypsin family protein 0.0165 0.0617 0.0617
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0144 0.0498 0.1305
Trypanosoma cruzi hypothetical protein, conserved 0.0376 0.1777 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.0111 0.0111
Onchocerca volvulus 0.0254 0.1103 0.5957
Plasmodium vivax aspartyl protease, putative 0.0303 0.1375 0.1832
Loa Loa (eye worm) integrin alpha pat-2 0.0235 0.1002 0.1002
Loa Loa (eye worm) hypothetical protein 0.0165 0.0617 0.0617
Echinococcus granulosus glycoprotein Antigen 5 0.0165 0.0617 0.3357
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0254 0.1103 0.2888
Brugia malayi Integrin beta pat-3 precursor 0.0313 0.1428 0.1428
Plasmodium vivax aspartyl protease, putative 0.0303 0.1375 0.1832
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Onchocerca volvulus 0.0165 0.0617 0.3037
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0261 0.1146 0.6386
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.1871 1 1
Schistosoma mansoni integrin alpha-ps 0.0068 0.0084 0.0219
Onchocerca volvulus 0.0165 0.0617 0.3037
Loa Loa (eye worm) hypothetical protein 0.0073 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0261 0.1146 0.1146
Mycobacterium ulcerans hypothetical protein 0.0165 0.0617 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.0111 0.0111
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Brugia malayi Pepsin A precursor 0.0144 0.0498 0.0498
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Echinococcus granulosus Mastin 0.0165 0.0617 0.3357
Plasmodium falciparum cysteine repeat modular protein 1 0.0376 0.1777 0.2672
Brugia malayi Integrin alpha pat-2 precursor 0.0153 0.0547 0.0547
Brugia malayi Trypsin family protein 0.0165 0.0617 0.0617
Leishmania major hypothetical protein, conserved 0.0376 0.1777 0.5
Echinococcus granulosus integrin beta 2 0.0232 0.0982 0.5447
Echinococcus granulosus transmembrane protease serine 3 0.0165 0.0617 0.3357
Loa Loa (eye worm) hypothetical protein 0.0165 0.0617 0.0617
Loa Loa (eye worm) aspartyl protease 6 0.0144 0.0498 0.0498
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.0111 0.0111
Plasmodium vivax aspartyl proteinase, putative 0.0261 0.1146 0.1353
Loa Loa (eye worm) hypothetical protein 0.0165 0.0617 0.0617
Loa Loa (eye worm) hypothetical protein 0.0073 0.0111 0.0111
Onchocerca volvulus 0.0165 0.0617 0.3037
Plasmodium falciparum plasmepsin II 0.0261 0.1146 0.1353
Brugia malayi hypothetical protein 0.0144 0.0498 0.0498
Toxoplasma gondii kringle domain-containing protein 0.0376 0.1777 0.3803
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Schistosoma mansoni integrin beta subunit 0.0184 0.072 0.1886
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0144 0.0498 0.0498
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0261 0.1146 0.1146
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0059 0.0031 0.0081
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Onchocerca volvulus 0.0144 0.0498 0.2326
Echinococcus multilocularis Mastin 0.0165 0.0617 0.3357
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0115 0.0343 0.0343
Brugia malayi PAN domain containing protein 0.0073 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0165 0.0617 0.0617
Loa Loa (eye worm) hypothetical protein 0.0073 0.0111 0.0111
Brugia malayi aspartic protease BmAsp-1, identical 0.0144 0.0498 0.0498
Onchocerca volvulus 0.0165 0.0617 0.3037
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.0111 0.0111
Echinococcus multilocularis transmembrane protease serine 3 0.0165 0.0617 0.3357
Echinococcus multilocularis integrin alpha 3 0.0117 0.0351 0.1834
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0165 0.0617 0.0617
Plasmodium falciparum plasmepsin X 0.0303 0.1375 0.1832
Onchocerca volvulus 0.0376 0.1777 1
Schistosoma mansoni hypothetical protein 0.0165 0.0617 0.1615
Toxoplasma gondii aspartyl protease ASP1 0.0261 0.1146 0.2363
Loa Loa (eye worm) hypothetical protein 0.0144 0.0498 0.0498
Onchocerca volvulus 0.0165 0.0617 0.3037
Echinococcus granulosus tissue type plasminogen activator 0.0376 0.1777 1
Brugia malayi Trypsin family protein 0.0165 0.0617 0.0617
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.0617 0.1615
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0165 0.0617 0.1615
Brugia malayi hypothetical protein 0.0144 0.0498 0.0498
Schistosoma mansoni cercarial elastase (S01 family) 0.0165 0.0617 0.1615
Loa Loa (eye worm) hypothetical protein 0.0254 0.1103 0.1103
Loa Loa (eye worm) hypothetical protein 0.0115 0.0343 0.0343
Schistosoma mansoni hypothetical protein 0.0376 0.1777 0.4651
Echinococcus granulosus integrin alpha ps 0.0068 0.0084 0.0303
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0144 0.0498 0.1305
Onchocerca volvulus 0.0144 0.0498 0.2326
Echinococcus multilocularis tissue type plasminogen activator 0.0376 0.1777 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0171 0.0171
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0144 0.0498 0.0884
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0261 0.1146 0.5
Echinococcus granulosus enteropeptidase 0.0165 0.0617 0.3357
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.0111 0.0111
Brugia malayi Trypsin family protein 0.0165 0.0617 0.0617
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0165 0.0617 0.3357
Brugia malayi aspartic protease BmAsp-2, identical 0.0144 0.0498 0.0498
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0261 0.1146 0.6386
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.0111 0.0111
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0144 0.0498 0.1305
Loa Loa (eye worm) hypothetical protein 0.0073 0.0111 0.0111

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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

Bibliographic References

No literature references available for this target.

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