Detailed information for compound 1292168

Basic information

Technical information
  • TDR Targets ID: 1292168
  • Name: N-(5-chloro-2-methoxyphenyl)-3-[4-(phenylmeth yl)piperazin-1-yl]propanamide
  • MW: 387.903 | Formula: C21H26ClN3O2
  • H donors: 1 H acceptors: 1 LogP: 2.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CCN1CCN(CC1)Cc1ccccc1)Cl
  • InChi: 1S/C21H26ClN3O2/c1-27-20-8-7-18(22)15-19(20)23-21(26)9-10-24-11-13-25(14-12-24)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,23,26)
  • InChiKey: PJAICSVJNAZOSE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-chloro-2-methoxy-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propanamide
  • N-(5-chloro-2-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamide
  • 3-[4-(benzyl)piperazin-1-yl]-N-(5-chloro-2-methoxy-phenyl)propionamide
  • 3-(4-Benzyl-piperazin-1-yl)-N-(5-chloro-2-methoxy-phenyl)-propionamide
  • Oprea1_345002
  • A2307/0097272
  • Oprea1_598257
  • BAS 01508474

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 geminin, DNA replication inhibitor 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0205 0.2297 0.4983
Loa Loa (eye worm) hypothetical protein 0.0153 0.1623 0.2134
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0023 0.003
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0151 0.0151
Toxoplasma gondii isocitrate dehydrogenase 0.0095 0.0855 0.4191
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0023 0.003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.0855 0.1856
Loa Loa (eye worm) MH2 domain-containing protein 0.0609 0.7608 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0095 0.0855 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0151 0.0328
Schistosoma mansoni peptidase Clp (S14 family) 0.0153 0.1623 0.3522
Loa Loa (eye worm) hypothetical protein 0.0032 0.0023 0.003
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0153 0.1623 1
Brugia malayi MH1 domain containing protein 0.0041 0.0151 0.0199
Echinococcus granulosus geminin 0.0205 0.2297 0.2297
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0101 0.0928 1
Echinococcus multilocularis tar DNA binding protein 0.038 0.4609 1
Schistosoma mansoni smad 0.0041 0.0151 0.0328
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.011 0.1059 0.2297
Brugia malayi Nuclear hormone receptor family member nhr-25 0.011 0.1059 0.1391
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0023 0.003
Brugia malayi RNA binding protein 0.038 0.4609 0.6058
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0153 0.1623 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0153 0.1623 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0153 0.1623 1
Loa Loa (eye worm) TAR-binding protein 0.038 0.4609 0.6058
Schistosoma mansoni tar DNA-binding protein 0.038 0.4609 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0095 0.0855 0.1124
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.01 0.0923 0.1214
Brugia malayi MH2 domain containing protein 0.0041 0.0151 0.0199
Brugia malayi Smad1 0.0041 0.0151 0.0199
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0153 0.1623 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.011 0.1059 0.1391
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0095 0.0855 0.1856
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0023 0.005
Schistosoma mansoni smad1 5 8 and 0.0041 0.0151 0.0328
Schistosoma mansoni hypothetical protein 0.0205 0.2297 0.4983
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0153 0.1623 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0151 0.0151
Schistosoma mansoni hypothetical protein 0.0032 0.0023 0.005
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.011 0.1059 0.1059
Schistosoma mansoni tar DNA-binding protein 0.038 0.4609 1
Brugia malayi TAR-binding protein 0.038 0.4609 0.6058
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0151 0.0199
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0023 0.005
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.0855 0.1856
Brugia malayi MH1 domain containing protein 0.0041 0.0151 0.0199
Echinococcus multilocularis smad 0.0041 0.0151 0.0328
Brugia malayi MH2 domain containing protein 0.0609 0.7608 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0923 0.1214
Loa Loa (eye worm) Smad1 0.0041 0.0151 0.0199
Onchocerca volvulus 0.0591 0.7379 1
Schistosoma mansoni smad1 5 8 and 0.0041 0.0151 0.0328
Loa Loa (eye worm) transcription factor SMAD2 0.0609 0.7608 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0153 0.1623 0.5
Echinococcus granulosus smad 0.0041 0.0151 0.0151
Echinococcus granulosus tar DNA binding protein 0.038 0.4609 0.4609
Schistosoma mansoni hypothetical protein 0.0032 0.0023 0.005
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0101 0.0928 0.4744
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0507 0.0666
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0153 0.1623 0.3522
Echinococcus multilocularis isocitrate dehydrogenase 0.0095 0.0855 0.1856
Schistosoma mansoni tar DNA-binding protein 0.038 0.4609 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0153 0.1623 1
Echinococcus multilocularis Smad4 0.0041 0.0151 0.0328
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0923 0.1214
Echinococcus granulosus GPCR family 2 0.0032 0.0023 0.0023
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0095 0.0855 0.4191
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0923 0.1214
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.011 0.1059 0.2297
Schistosoma mansoni Smad4 0.0041 0.0151 0.0328
Brugia malayi hypothetical protein 0.0591 0.7379 0.97
Echinococcus multilocularis FTZ F1 alpha 0.011 0.1059 0.2297
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0101 0.0928 1
Brugia malayi MH2 domain containing protein 0.0041 0.0151 0.0199
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0023 0.0023
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0153 0.1623 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0151 0.0328
Toxoplasma gondii isocitrate dehydrogenase 0.0095 0.0855 0.4191
Schistosoma mansoni hypothetical protein 0.0032 0.0023 0.005
Schistosoma mansoni smad1 5 8 and 0.0041 0.0151 0.0328
Echinococcus multilocularis peptidase Clp (S14 family) 0.0101 0.0928 0.2014
Loa Loa (eye worm) RNA binding protein 0.038 0.4609 0.6058
Loa Loa (eye worm) hypothetical protein 0.011 0.1059 0.1391
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.038 0.4609 0.6058
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0095 0.0855 0.4191
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0095 0.0855 0.1856
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0151 0.0199
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0153 0.1623 0.1623
Echinococcus multilocularis GPCR, family 2 0.0032 0.0023 0.005
Brugia malayi RNA recognition motif domain containing protein 0.038 0.4609 0.6058
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0095 0.0855 0.5
Brugia malayi Probable ClpP-like protease 0.0153 0.1623 0.2134
Echinococcus granulosus Smad4 0.0041 0.0151 0.0151
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.0855 0.1856
Brugia malayi Isocitrate dehydrogenase 0.0095 0.0855 0.1124
Brugia malayi isocitrate dehydrogenase 0.0095 0.0855 0.1124
Echinococcus granulosus peptidase Clp S14 family 0.0101 0.0928 0.0928
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0095 0.0855 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.0023 0.005
Loa Loa (eye worm) hypothetical protein 0.0068 0.0507 0.0666
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0153 0.1623 1
Echinococcus multilocularis geminin 0.0205 0.2297 0.4983
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0151 0.0328
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0095 0.0855 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0153 0.1623 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0095 0.0855 0.5
Schistosoma mansoni hypothetical protein 0.0081 0.0665 0.1442
Schistosoma mansoni hypothetical protein 0.0068 0.0507 0.1099
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0095 0.0855 0.0855
Schistosoma mansoni tar DNA-binding protein 0.038 0.4609 1
Loa Loa (eye worm) hypothetical protein 0.0591 0.7379 0.97
Schistosoma mansoni tar DNA-binding protein 0.038 0.4609 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 22.3872 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

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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