Detailed information for compound 1452423

Basic information

Technical information
  • TDR Targets ID: 1452423
  • Name: N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxa mide
  • MW: 267.326 | Formula: C16H17N3O
  • H donors: 1 H acceptors: 2 LogP: 2.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1)Nc1ccccc1N1CCCC1
  • InChi: 1S/C16H17N3O/c20-16(13-6-5-9-17-12-13)18-14-7-1-2-8-15(14)19-10-3-4-11-19/h1-2,5-9,12H,3-4,10-11H2,(H,18,20)
  • InChiKey: MKWFEYASOAXCTM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-1-pyrrolidinylphenyl)-3-pyridinecarboxamide
  • N-(2-pyrrolidin-1-ylphenyl)nicotinamide
  • SDCCGMLS-0038272.P002
  • MLS000088224
  • N-[2-(1-pyrrolidinyl)phenyl]nicotinamide
  • SMR000072465
  • ZINC00211866
  • Oprea1_280629
  • STOCK3S-53345

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.039 0.5186 0.6358
Schistosoma mansoni hypothetical protein 0.0226 0.2817 0.3419
Loa Loa (eye worm) MH1 domain-containing protein 0.0049 0.0258 0.0198
Brugia malayi RNA binding protein 0.039 0.5186 0.5156
Loa Loa (eye worm) hypothetical protein 0.0063 0.0455 0.0396
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0309 0.133
Leishmania major leucyl-tRNA synthetase, putative 0.0063 0.0455 0.2359
Echinococcus granulosus TGF beta signal transducer SmadC 0.0049 0.0258 0.0385
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0309 0.133
Schistosoma mansoni smad1 5 8 and 0.0049 0.0258 0.0245
Loa Loa (eye worm) latrophilin receptor protein 2 0.0226 0.2817 0.2773
Brugia malayi methionyl-tRNA synthetase 0.0063 0.0455 0.0396
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0226 0.2817 0.5378
Brugia malayi RNA recognition motif domain containing protein 0.039 0.5186 0.5156
Loa Loa (eye worm) transcription factor SMAD2 0.0723 1 1
Brugia malayi MH1 domain containing protein 0.0049 0.0258 0.0198
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.0309 0.0484
Schistosoma mansoni tar DNA-binding protein 0.039 0.5186 0.6358
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0653 0.1155
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.071 0.3686
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0151 0.1728 0.2069
Echinococcus granulosus geminin 0.033 0.4319 0.8308
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0063 0.0455 0.0769
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0192 0.0132
Plasmodium vivax hypothetical protein, conserved 0.0063 0.0455 0.211
Loa Loa (eye worm) hypothetical protein 0.0063 0.0455 0.0396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0151 0.1728 0.3254
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0165 0.1927 0.1878
Plasmodium vivax methionine--tRNA ligase, putative 0.0165 0.1927 1
Echinococcus granulosus Smad4 0.0049 0.0258 0.0385
Echinococcus granulosus mothers against decapentaplegic 5 0.0049 0.0258 0.0385
Echinococcus granulosus smad 0.0049 0.0258 0.0385
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.071 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0455 0.0396
Echinococcus multilocularis GPCR, family 2 0.0226 0.2817 0.5378
Loa Loa (eye worm) glutaminase 0.0593 0.8122 0.811
Schistosoma mansoni hypothetical protein 0.033 0.4319 0.5282
Echinococcus multilocularis Smad4 0.0049 0.0258 0.0385
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0715 0.9884 0.9883
Brugia malayi hypothetical protein 0.0457 0.6152 0.6128
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0226 0.2817 0.5378
Echinococcus multilocularis mothers against decapentaplegic 5 0.0049 0.0258 0.0385
Schistosoma mansoni smad1 5 8 and 0.0049 0.0258 0.0245
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0192 0.0997
Schistosoma mansoni Smad4 0.0049 0.0258 0.0245
Echinococcus multilocularis tar DNA binding protein 0.039 0.5186 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.071 0.1267
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.071 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0165 0.1927 1
Brugia malayi MH2 domain containing protein 0.0049 0.0258 0.0198
Schistosoma mansoni methionine-tRNA synthetase 0.0165 0.1927 0.2315
Loa Loa (eye worm) hypothetical protein 0.0457 0.6152 0.6128
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0226 0.2817 0.5378
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0715 0.9884 0.9883
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0049 0.0258 0.0245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0151 0.1728 0.3254
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0151 0.1728 0.1678
Echinococcus granulosus methionine tRNA synthetase 0.0165 0.1927 0.3641
Entamoeba histolytica hypothetical protein 0.0077 0.0653 1
Toxoplasma gondii tRNA ligases class I (M) protein 0.0063 0.0455 0.2359
Loa Loa (eye worm) glutaminase 2 0.0593 0.8122 0.811
Schistosoma mansoni tar DNA-binding protein 0.039 0.5186 0.6358
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0102 0.1018 0.0963
Plasmodium falciparum methionine--tRNA ligase, putative 0.0063 0.0455 0.211
Loa Loa (eye worm) TAR-binding protein 0.039 0.5186 0.5156
Schistosoma mansoni tar DNA-binding protein 0.039 0.5186 0.6358
Giardia lamblia Methionyl-tRNA synthetase 0.0165 0.1927 1
Plasmodium falciparum methionine--tRNA ligase 0.0165 0.1927 1
Schistosoma mansoni smad 0.0049 0.0258 0.0245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0151 0.1728 0.3254
Loa Loa (eye worm) hypothetical protein 0.0715 0.9884 0.9883
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.071 0.348
Toxoplasma gondii isocitrate dehydrogenase 0.0036 0.0061 0.0316
Loa Loa (eye worm) hypothetical protein 0.0488 0.6613 0.6592
Plasmodium vivax methionine--tRNA ligase, putative 0.0063 0.0455 0.211
Brugia malayi hypothetical protein 0.0077 0.0653 0.0596
Schistosoma mansoni hypothetical protein 0.0077 0.0653 0.0734
Schistosoma mansoni hypothetical protein 0.033 0.4319 0.5282
Schistosoma mansoni DNA polymerase eta 0.0045 0.0192 0.0163
Schistosoma mansoni methionine-tRNA synthetase 0.0063 0.0455 0.0489
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.071 0.0333
Leishmania major DNA polymerase eta, putative 0.0045 0.0192 0.0997
Brugia malayi MH1 domain containing protein 0.0049 0.0258 0.0198
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0063 0.0455 0.0769
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0049 0.0258 0.0385
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.071 0.3686
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0165 0.1927 1
Schistosoma mansoni leucyl-tRNA synthetase 0.0063 0.0455 0.0489
Echinococcus multilocularis geminin 0.033 0.4319 0.8308
Entamoeba histolytica hypothetical protein 0.0077 0.0653 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.071 0.0333
Schistosoma mansoni smad1 5 8 and 0.0049 0.0258 0.0245
Echinococcus multilocularis smad 0.0049 0.0258 0.0385
Schistosoma mansoni hypothetical protein 0.0226 0.2817 0.3419
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0165 0.1927 1
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0165 0.1927 1
Echinococcus multilocularis leucyl tRNA synthetase 0.0063 0.0455 0.0769
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.071 0.0806
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0036 0.0061 0.0316
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0165 0.1927 0.192
Schistosoma mansoni hypothetical protein 0.0226 0.2817 0.3419
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0653 0.0734
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0226 0.2817 0.5378
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0151 0.1728 0.1678
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.071 0.248
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.071 0.1267
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0653 0.1155
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.071 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0715 0.9884 0.9883
Schistosoma mansoni hypothetical protein 0.0226 0.2817 0.3419
Brugia malayi glutaminase DH11.1 0.0593 0.8122 0.811
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0165 0.1927 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.039 0.5186 0.5156
Loa Loa (eye worm) Smad1 0.0049 0.0258 0.0198
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0061 0.0316
Toxoplasma gondii isocitrate dehydrogenase 0.0036 0.0061 0.0316
Trichomonas vaginalis glutaminase, putative 0.0593 0.8122 1
Entamoeba histolytica hypothetical protein 0.0077 0.0653 1
Echinococcus granulosus dna polymerase eta 0.0045 0.0192 0.0256
Loa Loa (eye worm) RNA binding protein 0.039 0.5186 0.5156
Schistosoma mansoni tar DNA-binding protein 0.039 0.5186 0.6358
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0226 0.2817 0.2773
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.0309 0.0484
Echinococcus multilocularis methionine tRNA synthetase 0.0165 0.1927 0.3641
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0061 0.0316
Loa Loa (eye worm) MH2 domain-containing protein 0.0049 0.0258 0.0198
Brugia malayi latrophilin 2 splice variant baaae 0.0488 0.6613 0.6592
Brugia malayi protein ZK524.3 0.0063 0.0455 0.0396
Brugia malayi Smad1 0.0049 0.0258 0.0198
Brugia malayi Probable ClpP-like protease 0.008 0.071 0.0653
Brugia malayi TAR-binding protein 0.039 0.5186 0.5156
Mycobacterium ulcerans glutaminase 0.0593 0.8122 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0151 0.1728 0.2069
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0151 0.1728 0.2069
Brugia malayi methionyl-tRNA synthetase 0.0165 0.1927 0.1878
Echinococcus granulosus GPCR family 2 0.0226 0.2817 0.5378
Schistosoma mansoni glutaminase 0.0593 0.8122 1
Echinococcus granulosus tar DNA binding protein 0.039 0.5186 1
Leishmania major methionyl-tRNA synthetase, putative 0.0165 0.1927 1
Echinococcus multilocularis dna polymerase eta 0.0045 0.0192 0.0256
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.071 0.1736
Loa Loa (eye worm) hypothetical protein 0.0226 0.2817 0.2773
Loa Loa (eye worm) MH2 domain-containing protein 0.0723 1 1
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0165 0.1927 1
Brugia malayi MH2 domain containing protein 0.0049 0.0258 0.0198
Entamoeba histolytica hypothetical protein 0.0077 0.0653 1
Schistosoma mansoni hypothetical protein 0.0488 0.6613 0.8128
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0192 0.0704
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0151 0.1728 0.3254
Loa Loa (eye worm) hypothetical protein 0.0045 0.0192 0.0132
Brugia malayi Latrophilin receptor protein 2 0.0226 0.2817 0.2773
Loa Loa (eye worm) hypothetical protein 0.008 0.071 0.0653
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.071 0.348
Onchocerca volvulus 0.0457 0.6152 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 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 (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 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

Bibliographic References

No literature references available for this target.

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