Detailed information for compound 1452018

Basic information

Technical information
  • TDR Targets ID: 1452018
  • Name: N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3- carboxamide
  • MW: 310.393 | Formula: C18H22N4O
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cccc(c1)NC(=O)C1CCCN(C1)c1cnccn1
  • InChi: 1S/C18H22N4O/c1-2-14-5-3-7-16(11-14)21-18(23)15-6-4-10-22(13-15)17-12-19-8-9-20-17/h3,5,7-9,11-12,15H,2,4,6,10,13H2,1H3,(H,21,23)
  • InChiKey: ZZMGAPJJSLUDBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-ethylphenyl)-1-pyrazin-2-yl-piperidine-3-carboxamide
  • N-(3-ethylphenyl)-1-(2-pyrazinyl)-3-piperidinecarboxamide
  • N-(3-ethylphenyl)-1-pyrazin-2-yl-nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus tar DNA binding protein 0.0199 0.6228 0.9676
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0916 0.0955
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.1201 0.1802
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0916 0.0955
Onchocerca volvulus 0.0301 1 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.3143 0.3143
Loa Loa (eye worm) hypothetical protein 0.0063 0.1201 0.1201
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.1201 0.1802
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.005 0.005
Loa Loa (eye worm) RNA binding protein 0.0199 0.6228 0.6228
Schistosoma mansoni hypothetical protein 0.0063 0.1201 0.1269
Loa Loa (eye worm) hypothetical protein 0.0136 0.3899 0.3899
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.005 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0032 0.005 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0916 0.1356
Loa Loa (eye worm) glutaminase 0.0277 0.9115 0.9115
Schistosoma mansoni hypothetical protein 0.0136 0.3899 0.4246
Trichomonas vaginalis glutaminase, putative 0.0277 0.9115 0.5
Schistosoma mansoni hypothetical protein 0.0063 0.1201 0.1269
Echinococcus multilocularis geminin 0.0205 0.6435 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.3143 0.3143
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.005 1
Brugia malayi RNA binding protein 0.0199 0.6228 0.6228
Schistosoma mansoni hypothetical protein 0.0063 0.1201 0.1269
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.005 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.005 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.1201 0.1201
Brugia malayi Isocitrate dehydrogenase 0.0032 0.005 0.005
Brugia malayi glutaminase DH11.1 0.0277 0.9115 0.9115
Schistosoma mansoni hypothetical protein 0.0205 0.6435 0.7043
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.005 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.005 1
Brugia malayi Latrophilin receptor protein 2 0.0063 0.1201 0.1201
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0916 0.1356
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.005 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0199 0.6224 0.6224
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6228 0.6815
Loa Loa (eye worm) hypothetical protein 0.0199 0.6224 0.6224
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.1201 0.1201
Schistosoma mansoni hypothetical protein 0.0063 0.1201 0.1269
Brugia malayi RNA recognition motif domain containing protein 0.0199 0.6228 0.6228
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.005 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0916 0.0916
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.005 1
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6228 0.6815
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0199 0.6224 0.6224
Schistosoma mansoni hypothetical protein 0.0205 0.6435 0.7043
Brugia malayi MH2 domain containing protein 0.0116 0.3143 0.3143
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.1201 0.1802
Schistosoma mansoni glutaminase 0.0277 0.9115 1
Echinococcus granulosus GPCR family 2 0.0063 0.1201 0.1802
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6228 0.6815
Brugia malayi latrophilin 2 splice variant baaae 0.0136 0.3899 0.3899
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0199 0.6228 0.6228
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6228 0.6815
Brugia malayi isocitrate dehydrogenase 0.0032 0.005 0.005
Echinococcus multilocularis GPCR, family 2 0.0063 0.1201 0.1802
Loa Loa (eye worm) glutaminase 2 0.0277 0.9115 0.9115
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.1201 0.1802
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0916 0.1356
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0916 0.1356
Loa Loa (eye worm) hypothetical protein 0.0301 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0916 0.0916
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6228 0.6815
Mycobacterium ulcerans glutaminase 0.0277 0.9115 0.5
Echinococcus multilocularis tar DNA binding protein 0.0199 0.6228 0.9676
Echinococcus granulosus geminin 0.0205 0.6435 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0199 0.6224 0.6224
Loa Loa (eye worm) TAR-binding protein 0.0199 0.6228 0.6228
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0916 0.0955
Brugia malayi TAR-binding protein 0.0199 0.6228 0.6228

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0052 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0251 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 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) 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 (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) 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

Bibliographic References

No literature references available for this target.

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