Detailed information for compound 1294190

Basic information

Technical information
  • TDR Targets ID: 1294190
  • Name: N-(3-chlorophenyl)-4-(furan-2-carbonylamino)p iperidine-1-carboxamide
  • MW: 347.796 | Formula: C17H18ClN3O3
  • H donors: 2 H acceptors: 2 LogP: 2.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NC(=O)N1CCC(CC1)NC(=O)c1ccco1
  • InChi: 1S/C17H18ClN3O3/c18-12-3-1-4-14(11-12)20-17(23)21-8-6-13(7-9-21)19-16(22)15-5-2-10-24-15/h1-5,10-11,13H,6-9H2,(H,19,22)(H,20,23)
  • InChiKey: DMKRYURZRMPDRY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chlorophenyl)-4-[(2-furyl-oxomethyl)amino]-1-piperidinecarboxamide
  • N-(3-chlorophenyl)-4-(furan-2-ylcarbonylamino)piperidine-1-carboxamide

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0768 0.2019 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0243 0.0478 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0493 0.1212 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0397 0.0929 0.2909
Loa Loa (eye worm) hypothetical protein 0.0245 0.0483 0.1514
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0128 0.0141 0.1091
Schistosoma mansoni tar DNA-binding protein 0.0219 0.0409 0.2025
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0356 0.0809 0.4548
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0245 0.0483 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.0061 0.0342
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0243 0.0478 0.3894
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.016 0.0236 0.4783
Schistosoma mansoni cellular tumor antigen P53 0.01 0.0061 0.0302
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0243 0.0478 0.0478
Brugia malayi hypothetical protein 0.0493 0.1212 0.3794
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0243 0.0478 0.0478
Brugia malayi Probable ClpP-like protease 0.0245 0.0483 0.1514
Toxoplasma gondii hypothetical protein 0.0084 0.0014 0.0029
Loa Loa (eye worm) RNA binding protein 0.0219 0.0409 0.128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0397 0.0929 0.0929
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0245 0.0483 1
Echinococcus granulosus geminin 0.0356 0.0809 0.4548
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0243 0.0478 0.0478
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.0014 0.0029
Brugia malayi Latrophilin receptor protein 2 0.0356 0.0809 0.2533
Toxoplasma gondii isocitrate dehydrogenase 0.0243 0.0478 0.3894
Onchocerca volvulus 0.0664 0.1713 1
Onchocerca volvulus 0.01 0.0061 0.0001
Loa Loa (eye worm) latrophilin receptor protein 2 0.0356 0.0809 0.2533
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.1124 0.3061 0.9586
Trypanosoma brucei polo-like protein kinase 0.01 0.0061 0.0423
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0245 0.0483 1
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.0061 0.0423
Toxoplasma gondii LsmAD domain-containing protein 0.0493 0.1212 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0168 0.0258 0.1277
Loa Loa (eye worm) hypothetical protein 0.0768 0.2019 0.6322
Loa Loa (eye worm) hypothetical protein 0.0664 0.1713 0.5364
Schistosoma mansoni hypothetical protein 0.0356 0.0809 0.4007
Brugia malayi Isocitrate dehydrogenase 0.0243 0.0478 0.1497
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0243 0.0478 0.2368
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0245 0.0483 1
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0061 0.0301
Toxoplasma gondii SWI2/SNF2-containing protein 0.0084 0.0014 0.0035
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.0061 1
Brugia malayi RNA binding protein 0.0219 0.0409 0.128
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0245 0.0483 0.2718
Giardia lamblia Kinase, PLK 0.01 0.0061 1
Loa Loa (eye worm) MH2 domain-containing protein 0.1169 0.3193 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.0061 0.0191
Schistosoma mansoni tar DNA-binding protein 0.0219 0.0409 0.2025
Brugia malayi MH2 domain containing protein 0.1169 0.3193 1
Echinococcus multilocularis rho GTPase activating protein 20 0.0083 0.001 0.001
Brugia malayi TAR-binding protein 0.0219 0.0409 0.128
Trypanosoma brucei PAB1-binding protein , putative 0.0493 0.1212 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0084 0.0014 0.0074
Echinococcus granulosus tar DNA binding protein 0.0219 0.0409 0.2298
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0221 0.0415 0.0415
Leishmania major DNA topoisomerase III, putative 0.0168 0.0258 0.2061
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0245 0.0483 1
Loa Loa (eye worm) transcription factor SMAD2 0.1169 0.3193 1
Leishmania major hypothetical protein, conserved 0.0493 0.1212 1
Toxoplasma gondii isocitrate dehydrogenase 0.0243 0.0478 0.3894
Echinococcus multilocularis tumor protein p63 0.0686 0.1779 0.1779
Treponema pallidum DNA topoisomerase I (topA) 0.0168 0.0258 0.5195
Schistosoma mansoni hypothetical protein 0.0356 0.0809 0.4007
Trypanosoma cruzi PAB1-binding protein , putative 0.0493 0.1212 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0397 0.0929 0.5221
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0245 0.0483 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0356 0.0809 0.4548
Schistosoma mansoni peptidase Clp (S14 family) 0.0245 0.0483 0.2395
Schistosoma mansoni hypothetical protein 0.0356 0.0809 0.4007
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.0061 0.0423
Echinococcus multilocularis tar DNA binding protein 0.0219 0.0409 0.0409
Echinococcus granulosus tumor protein p63 0.0686 0.1779 1
Schistosoma mansoni hypothetical protein 0.0356 0.0809 0.4007
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0245 0.0483 0.394
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0245 0.0483 0.394
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0356 0.0809 0.0809
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0243 0.0478 0.3894
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0397 0.0929 0.0929
Echinococcus multilocularis isocitrate dehydrogenase 0.0243 0.0478 0.0478
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0061 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0493 0.1212 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1124 0.3061 0.9586
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0243 0.0478 0.0478
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0243 0.0478 0.3894
Brugia malayi latrophilin 2 splice variant baaae 0.0768 0.2019 0.6322
Brugia malayi hypothetical protein 0.0664 0.1713 0.5364
Schistosoma mansoni hypothetical protein 0.0356 0.0809 0.4007
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.0061 0.0061
Brugia malayi DNA topoisomerase III 0.0083 0.001 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0219 0.0409 0.2025
Loa Loa (eye worm) hypothetical protein 0.0493 0.1212 0.3794
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0219 0.0409 0.128
Brugia malayi hypothetical protein 0.0318 0.0699 0.219
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0245 0.0483 0.394
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0061 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0243 0.0478 0.2687
Schistosoma mansoni hypothetical protein 0.0356 0.0809 0.4007
Echinococcus granulosus GPCR family 2 0.0356 0.0809 0.4548
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.0061 0.0191
Schistosoma mansoni hypothetical protein 0.0221 0.0415 0.2054
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0245 0.0483 0.0483
Loa Loa (eye worm) isocitrate dehydrogenase 0.0243 0.0478 0.1497
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0397 0.0929 0.4601
Brugia malayi RNA recognition motif domain containing protein 0.0219 0.0409 0.128
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.0356 0.0809 0.2533
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0061 1
Echinococcus multilocularis GPCR, family 2 0.0356 0.0809 0.0809
Loa Loa (eye worm) TAR-binding protein 0.0219 0.0409 0.128
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0083 0.001 0.0056
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0221 0.0415 0.2331
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0356 0.0809 0.0809
Echinococcus granulosus peptidase Clp S14 family 0.016 0.0236 0.133
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0061 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.016 0.0236 0.0236
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0243 0.0478 0.3894
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1124 0.3061 0.9586
Loa Loa (eye worm) DNA topoisomerase III 0.0083 0.001 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0397 0.0929 0.4601
Schistosoma mansoni tar DNA-binding protein 0.0219 0.0409 0.2025
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0245 0.0483 0.394
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0397 0.0929 0.5221
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0397 0.0929 0.4601
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0243 0.0478 0.3894
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0061 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.1124 0.3061 0.9586
Loa Loa (eye worm) hypothetical protein 0.01 0.0061 0.0191
Echinococcus multilocularis geminin 0.0356 0.0809 0.0809
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0243 0.0478 0.3894
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0356 0.0809 0.2533
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.0061 0.0423
Plasmodium falciparum ataxin-2 like protein, putative 0.0493 0.1212 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0397 0.0929 0.2909
Schistosoma mansoni tar DNA-binding protein 0.0219 0.0409 0.2025
Plasmodium vivax ataxin-2 like protein, putative 0.0493 0.1212 1
Brugia malayi isocitrate dehydrogenase 0.0243 0.0478 0.1497
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0014 0.0029
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0243 0.0478 0.3894
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0245 0.0483 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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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