Detailed information for compound 1570052

Basic information

Technical information
  • TDR Targets ID: 1570052
  • Name: N-(2-chlorophenyl)-4-(4-fluorobenzoyl)piperid ine-1-carboxamide
  • MW: 360.81 | Formula: C19H18ClFN2O2
  • H donors: 1 H acceptors: 2 LogP: 3.67 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)Nc1ccccc1Cl
  • InChi: 1S/C19H18ClFN2O2/c20-16-3-1-2-4-17(16)22-19(25)23-11-9-14(10-12-23)18(24)13-5-7-15(21)8-6-13/h1-8,14H,9-12H2,(H,22,25)
  • InChiKey: HJUXJFJXWANMKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chlorophenyl)-4-[(4-fluorophenyl)-oxomethyl]-1-piperidinecarboxamide
  • N-(2-chlorophenyl)-4-(4-fluorophenyl)carbonyl-piperidine-1-carboxamide
  • ZINC01336666
  • MLS000710037
  • SMR000287204
  • 4-(4-Fluoro-benzoyl)-piperidine-1-carboxylic acid (2-chloro-phenyl)-amide
  • ASN 06583520

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) RNA binding protein 0.0075 0.1663 0.1786
Brugia malayi serine/threonine-protein kinase plk-2 0.0112 0.2797 0.2799
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.1531 0.2677
Loa Loa (eye worm) jmjC domain-containing protein 0.0113 0.2853 0.3064
Brugia malayi Bromodomain containing protein 0.0045 0.0751 0.0539
Entamoeba histolytica serine/threonine protein kinase, putative 0.0112 0.2797 0.2016
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0418 0.0639
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1212 0.1048
Schistosoma mansoni jumonji/arid domain-containing protein 0.0113 0.2853 0.3012
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1059 0.1814
Brugia malayi Bromodomain containing protein 0.0089 0.2088 0.2016
Schistosoma mansoni glutaminase 0.0323 0.9311 1
Trypanosoma brucei polo-like protein kinase 0.0112 0.2797 0.3697
Loa Loa (eye worm) hypothetical protein 0.0084 0.1932 0.2075
Echinococcus granulosus mannose 6 phosphate isomerase 0.0115 0.2898 0.5182
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0418 0.0377
Schistosoma mansoni phd/f-box containing protein 0.003 0.027 0.0217
Onchocerca volvulus Serine\/threonine kinase homolog 0.0112 0.2797 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0178 0.0198
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0169 0.4556 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1059 0.0879
Entamoeba histolytica phosphomannose isomerase, putative 0.0115 0.2898 0.2128
Brugia malayi PHD-finger family protein 0.0034 0.0418 0.0171
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.003 0.027 0.0032
Echinococcus granulosus peregrin 0.0037 0.0505 0.0797
Schistosoma mansoni phosphatidylserine receptor 0.003 0.027 0.0217
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0115 0.2898 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0112 0.2797 0.3717
Leishmania major hypothetical protein, conserved 0.003 0.027 0.0032
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0345 1 1
Brugia malayi jmjC domain containing protein 0.003 0.027 0.0007
Echinococcus multilocularis lysine specific demethylase 6a 0.003 0.027 0.0368
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.3704 0.3978
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1059 0.1138
Leishmania major hypothetical protein, conserved 0.0251 0.7104 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0418 0.0563
Schistosoma mansoni kinase 0.0057 0.1105 0.112
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0108 0.0116
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.2797 0.2613
Echinococcus multilocularis jumonji domain containing 1A 0.003 0.027 0.0368
Trypanosoma cruzi polo-like protein kinase, putative 0.0112 0.2797 0.3717
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0665 0.1091
Echinococcus granulosus tar DNA binding protein 0.0075 0.1663 0.292
Loa Loa (eye worm) TAR-binding protein 0.0075 0.1663 0.1786
Toxoplasma gondii phosphomannose isomerase type I protein 0.0115 0.2898 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.003 0.027 0.0032
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0625 0.0399
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.003 0.027 0.0217
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0169 0.4556 1
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1663 0.1725
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0418 0.0563
Loa Loa (eye worm) hypothetical protein 0.0078 0.1748 0.1877
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0345 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0182 0.4976 0.8989
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0075 0.1663 0.1786
Echinococcus multilocularis lysine specific demethylase 5A 0.0111 0.2783 0.4973
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0115 0.2898 0.2923
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0345 1 1
Brugia malayi glutaminase DH11.1 0.0323 0.9311 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0182 0.4976 0.8989
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0112 0.2797 0.3003
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.3704 0.3978
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0418 0.0563
Loa Loa (eye worm) hypothetical protein 0.003 0.027 0.029
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1663 0.1725
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1059 0.1071
Echinococcus multilocularis jumonji domain containing protein 0.0048 0.0834 0.1401
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1059 0.1071
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.1531 0.2677
Brugia malayi TAR-binding protein 0.0075 0.1663 0.1547
Trypanosoma cruzi phosphomannose isomerase, putative 0.0115 0.2898 0.3864
Echinococcus multilocularis peregrin 0.0037 0.0505 0.0797
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1059 0.1071
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.1059 0.0831
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.027 0.029
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0178 0.0198
Schistosoma mansoni hypothetical protein 0.02 0.5527 0.5906
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0032 0.034 0.0496
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0115 0.2898 0.3112
Echinococcus granulosus JmjC domain containing protein 4 0.003 0.027 0.0368
Echinococcus granulosus lysine specific demethylase 5A 0.0113 0.2853 0.51
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0345 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1212 0.1302
Giardia lamblia Fructose-bisphosphate aldolase 0.0345 1 1
Schistosoma mansoni protein phosphatase 2C 0.003 0.027 0.0217
Loa Loa (eye worm) hypothetical protein 0.0045 0.0754 0.081
Loa Loa (eye worm) hypothetical protein 0.003 0.027 0.029
Brugia malayi RNA recognition motif domain containing protein 0.0075 0.1663 0.1547
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.2797 0.2613
Echinococcus multilocularis JmjC domain containing protein 4 0.003 0.027 0.0368
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0115 0.2898 0.2911
Plasmodium falciparum phd finger protein, putative 0.0034 0.0418 0.0563
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1059 0.1814
Trichomonas vaginalis glutaminase, putative 0.0323 0.9311 0.9294
Echinococcus granulosus citrate lyase subunit beta protein 0.0029 0.0249 0.0328
Brugia malayi MH2 domain containing protein 0.0141 0.3704 0.3803
Trypanosoma cruzi phosphomannose isomerase, putative 0.0115 0.2898 0.3864
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.2797 0.2613
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0062 0.1276 0.2386
Loa Loa (eye worm) hypothetical protein 0.0034 0.0418 0.0449
Loa Loa (eye worm) hypothetical protein 0.0041 0.0625 0.0671
Brugia malayi Bromodomain containing protein 0.0037 0.0505 0.0266
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0112 0.2797 0.4996
Leishmania major phosphomannose isomerase 0.0115 0.2898 0.3864
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0665 0.1091
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0345 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0251 0.7104 1
Schistosoma mansoni hypothetical protein 0.02 0.5527 0.5906
Brugia malayi jmjC domain containing protein 0.003 0.027 0.0007
Echinococcus multilocularis geminin 0.02 0.5527 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0345 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.084 0.0902
Echinococcus multilocularis citrate lyase subunit beta protein 0.0029 0.0249 0.0328
Echinococcus granulosus jumonji domain containing protein 0.0048 0.0834 0.1401
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1212 0.1302
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0115 0.2898 0.3112
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1663 0.1725
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0115 0.2898 1
Loa Loa (eye worm) glutaminase 0.0323 0.9311 1
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0115 0.2898 0.2911
Schistosoma mansoni bromodomain containing protein 0.0075 0.1661 0.1722
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0112 0.2797 0.4996
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.1059 0.0831
Echinococcus multilocularis tar DNA binding protein 0.0075 0.1663 0.292
Trypanosoma cruzi hypothetical protein, conserved 0.0251 0.7104 1
Schistosoma mansoni hypothetical protein 0.0034 0.0418 0.0377
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0032 0.034 0.0496
Brugia malayi RNA binding protein 0.0075 0.1663 0.1547
Echinococcus granulosus geminin 0.02 0.5527 1
Loa Loa (eye worm) glutaminase 2 0.0323 0.9311 1
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.027 0.029
Brugia malayi jmjC domain containing protein 0.003 0.027 0.0007
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.2797 0.2613
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.2797 0.2951
Echinococcus granulosus phd:f box containing protein 0.003 0.027 0.0368
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0345 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.0625 0.0601
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.027 0.029
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0169 0.4556 0.4753
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1059 0.1814
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1663 0.1725
Echinococcus granulosus jumonji domain containing 1A 0.003 0.027 0.0368
Treponema pallidum fructose-bisphosphate aldolase 0.0345 1 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0113 0.2853 0.3012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1059 0.1814
Trypanosoma cruzi hypothetical protein, conserved 0.0251 0.7104 1
Schistosoma mansoni hypothetical protein 0.0024 0.0108 0.0042
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.2797 0.2613
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0115 0.2898 0.2716
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.2797 0.2613
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1549 0.1663
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.2797 0.2613
Brugia malayi jmjC domain containing protein 0.003 0.027 0.0007
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0418 0.0449
Schistosoma mansoni jumonji domain containing protein 0.0159 0.4261 0.4535
Giardia lamblia Kinase, PLK 0.0112 0.2797 0.2482
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0345 1 1
Echinococcus granulosus lysine specific demethylase 6a 0.003 0.027 0.0368
Echinococcus multilocularis phd:f box containing protein 0.003 0.027 0.0368
Trypanosoma brucei phosphomannose isomerase 0.0115 0.2898 0.3845
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0418 0.0639
Schistosoma mansoni jumonji domain containing protein 0.003 0.027 0.0217
Loa Loa (eye worm) hypothetical protein 0.005 0.091 0.0977
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1663 0.1725
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0178 0.0117
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1212 0.1048
Brugia malayi jmjC domain containing protein 0.0113 0.2853 0.2862
Mycobacterium ulcerans glutaminase 0.0323 0.9311 1
Schistosoma mansoni mannose-6-phosphate isomerase 0.0115 0.2898 0.306
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0115 0.2898 0.5182
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0345 1 1
Brugia malayi jmjC domain containing protein 0.0182 0.4976 0.5208
Trypanosoma cruzi polo-like protein kinase, putative 0.0112 0.2797 0.3717

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 100 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

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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