Detailed information for compound 145586

Basic information

Technical information
  • TDR Targets ID: 145586
  • Name: 2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylm ethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
  • MW: 403.345 | Formula: C22H24Cl2N2O
  • H donors: 0 H acceptors: 1 LogP: 5.11 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1C(CCc2c1cccc2)CN1CCCC1)Cc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C22H24Cl2N2O/c23-19-10-7-16(13-20(19)24)14-22(27)26-18(15-25-11-3-4-12-25)9-8-17-5-1-2-6-21(17)26/h1-2,5-7,10,13,18H,3-4,8-9,11-12,14-15H2
  • InChiKey: SOLZFDBHRUMLKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3,4-dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
  • 2-(3,4-dichlorophenyl)-1-[2-(pyrrolidinomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

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
Echinococcus multilocularis mothers against decapentaplegic 2 0.0105 0.0201 0.0458
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0151 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0088 0.0151 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0234 0.0582 0.1325
Loa Loa (eye worm) TAR-binding protein 0.153 0.4392 0.4386
Schistosoma mansoni smad 0.0234 0.0582 0.1325
Schistosoma mansoni hypothetical protein 0.0161 0.0367 0.0835
Schistosoma mansoni smad1 5 8 and 0.0234 0.0582 0.1325
Brugia malayi MH1 domain containing protein 0.0234 0.0582 0.0572
Echinococcus multilocularis FTZ F1 alpha 0.0201 0.0484 0.1102
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.0062 0.0141
Loa Loa (eye worm) hypothetical protein 0.0081 0.0131 0.0121
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1859 0.5359 0.5354
Echinococcus granulosus FTZ F1 alpha 0.0798 0.224 0.5101
Schistosoma mansoni hypothetical protein 0.0588 0.1623 0.3695
Echinococcus granulosus tar DNA binding protein 0.153 0.4392 1
Brugia malayi RNA binding protein 0.153 0.4392 0.4386
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0088 0.0151 0.0343
Echinococcus multilocularis tar DNA binding protein 0.153 0.4392 1
Schistosoma mansoni tar DNA-binding protein 0.153 0.4392 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0011 0.0024
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0164 0.0375 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0201 0.0484 0.1102
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0164 0.0375 0.0853
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0088 0.0151 0.0803
Brugia malayi isocitrate dehydrogenase 0.0164 0.0375 0.0365
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0588 0.1623 0.3695
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 0.0011 0.0024
Loa Loa (eye worm) hypothetical protein 0.013 0.0274 0.0264
Schistosoma mansoni thyroid hormone receptor 0.004 0.0011 0.0024
Loa Loa (eye worm) hypothetical protein 0.1271 0.3629 0.3623
Toxoplasma gondii isocitrate dehydrogenase 0.0164 0.0375 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0201 0.0484 0.1102
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0164 0.0375 0.0853
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0234 0.0582 0.1325
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 0.0011 0.0024
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 0.0011 0.0024
Brugia malayi N-terminal motif family protein 0.0547 0.1503 0.1494
Schistosoma mansoni coup transcription factor 0.004 0.0011 0.0024
Schistosoma mansoni hypothetical protein 0.1271 0.3629 0.8264
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 0.0011 0.0024
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0088 0.0151 0.0803
Loa Loa (eye worm) transcription factor SMAD2 0.3439 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0105 0.0201 0.0191
Brugia malayi Smad1 0.0234 0.0582 0.0572
Loa Loa (eye worm) hypothetical protein 0.1859 0.5359 0.5354
Echinococcus granulosus GPCR family 2 0.0588 0.1623 0.3695
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 0.0011 0.0024
Loa Loa (eye worm) hypothetical protein 0.0105 0.0201 0.0191
Loa Loa (eye worm) hypothetical protein 0.0201 0.0484 0.0474
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0234 0.0582 0.1325
Brugia malayi RNA recognition motif domain containing protein 0.153 0.4392 0.4386
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0151 0.0803
Brugia malayi MH2 domain containing protein 0.0234 0.0582 0.0572
Echinococcus multilocularis thyroid hormone receptor alpha 0.004 0.0011 0.0024
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0164 0.0375 0.0853
Brugia malayi Probable ClpP-like protease 0.0088 0.0151 0.014
Brugia malayi Calcitonin receptor-like protein seb-1 0.1859 0.5359 0.5354
Echinococcus multilocularis Smad4 0.0234 0.0582 0.1325
Loa Loa (eye worm) hypothetical protein 0.0588 0.1623 0.1614
Schistosoma mansoni nuclear hormone receptor 0.004 0.0011 0.0024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0011 0.0024
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0588 0.1623 0.1614
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1859 0.5359 0.5354
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0201 0.0484 0.0474
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0588 0.1623 0.3695
Schistosoma mansoni smad1 5 8 and 0.0234 0.0582 0.1325
Brugia malayi MH2 domain containing protein 0.0105 0.0201 0.0191
Echinococcus granulosus mothers against decapentaplegic 5 0.0234 0.0582 0.1325
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.153 0.4392 0.4386
Schistosoma mansoni smad 0.0105 0.0201 0.0458
Schistosoma mansoni Smad4 0.0234 0.0582 0.1325
Schistosoma mansoni tar DNA-binding protein 0.153 0.4392 1
Loa Loa (eye worm) RNA binding protein 0.153 0.4392 0.4386
Loa Loa (eye worm) latrophilin receptor protein 2 0.0588 0.1623 0.1614
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0151 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0164 0.0375 0.0853
Echinococcus granulosus mothers against decapentaplegic 6 0.0105 0.0201 0.0458
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0201 0.0484 0.1102
Loa Loa (eye worm) MH1 domain-containing protein 0.0105 0.0201 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0201 0.0484 0.0474
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 0.0011 0.0024
Echinococcus granulosus Smad4 0.0234 0.0582 0.1325
Loa Loa (eye worm) MH1 domain-containing protein 0.0234 0.0582 0.0572
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0164 0.0375 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 0.0011 0.0024
Echinococcus granulosus smad 0.0234 0.0582 0.1325
Echinococcus multilocularis ecdysone induced protein 78C 0.004 0.0011 0.0024
Brugia malayi hypothetical protein 0.0052 0.0047 0.0036
Schistosoma mansoni tar DNA-binding protein 0.153 0.4392 1
Loa Loa (eye worm) nuclear factor I 0.013 0.0274 0.0264
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0088 0.0151 0.0343
Echinococcus multilocularis mothers against decapentaplegic 5 0.0234 0.0582 0.1325
Loa Loa (eye worm) hypothetical protein 0.0547 0.1503 0.1494
Brugia malayi MH1 domain containing protein 0.013 0.0274 0.0264
Echinococcus granulosus mothers against decapentaplegic 2 0.0105 0.0201 0.0458
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 0.0011 0.0024
Brugia malayi latrophilin 2 splice variant baaae 0.1271 0.3629 0.3623
Brugia malayi mothers against decapentaplegic homolog 3 0.0105 0.0201 0.0191
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0011 0.0024
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0588 0.1623 0.3695
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 0.0011 0.0024
Schistosoma mansoni smad1 5 8 and 0.0234 0.0582 0.1325
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0164 0.0375 1
Echinococcus multilocularis smad 0.0234 0.0582 0.1325
Schistosoma mansoni Smad4 0.0105 0.0201 0.0458
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0088 0.0151 1
Toxoplasma gondii isocitrate dehydrogenase 0.0164 0.0375 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0164 0.0375 1
Schistosoma mansoni tar DNA-binding protein 0.153 0.4392 1
Brugia malayi MH2 domain containing protein 0.0234 0.0582 0.0572
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0105 0.0201 0.1277
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0164 0.0375 0.0853
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0164 0.0375 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.0151 0.014
Brugia malayi MH1 domain containing protein 0.0234 0.0582 0.0572
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0011 0.0024
Echinococcus multilocularis GPCR, family 2 0.0588 0.1623 0.3695
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0151 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 0.0011 0.0024
Schistosoma mansoni RAR-like nuclear receptor 0.004 0.0011 0.0024
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0164 0.0375 1
Loa Loa (eye worm) Smad1 0.0234 0.0582 0.0572
Echinococcus granulosus ecdysone induced protein 78C 0.004 0.0011 0.0024
Schistosoma mansoni hypothetical protein 0.0588 0.1623 0.3695
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0151 0.0803
Echinococcus multilocularis mothers against decapentaplegic 6 0.0105 0.0201 0.0458
Schistosoma mansoni peptidase Clp (S14 family) 0.0088 0.0151 0.0343
Echinococcus multilocularis isocitrate dehydrogenase 0.0164 0.0375 0.0853
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0088 0.0151 0.5
Schistosoma mansoni thyroid hormone receptor 0.004 0.0011 0.0024
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 0.0011 0.0024
Schistosoma mansoni hypothetical protein 0.0588 0.1623 0.3695
Loa Loa (eye worm) isocitrate dehydrogenase 0.0164 0.0375 0.0365
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0547 0.1503 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0164 0.0375 1
Brugia malayi Latrophilin receptor protein 2 0.0588 0.1623 0.1614
Brugia malayi TAR-binding protein 0.153 0.4392 0.4386
Loa Loa (eye worm) MH2 domain-containing protein 0.3439 1 1
Schistosoma mansoni Smad4 0.0105 0.0201 0.0458
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0151 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.0582 0.0572
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.0062 0.0141
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0164 0.0375 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0588 0.1623 0.3695
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 0.0011 0.0024
Brugia malayi hypothetical protein 0.0081 0.0131 0.0121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0164 0.0375 0.0853
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0011 0.0024
Schistosoma mansoni retinoic acid receptor RXR 0.004 0.0011 0.0024
Schistosoma mansoni tar DNA-binding protein 0.153 0.4392 1
Brugia malayi MH1 domain containing protein 0.013 0.0274 0.0264
Schistosoma mansoni hypothetical protein 0.0588 0.1623 0.3695
Brugia malayi Isocitrate dehydrogenase 0.0164 0.0375 0.0365

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 20 uM kg-1 In vivo antinociceptive activity using mouse tail flick test, subcutaneous administration ChEMBL. 1652025
ED50 (functional) > 20 uM kg-1 In vivo antinociceptive activity using mouse tail flick test, subcutaneous administration ChEMBL. 1652025

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

1 literature reference was collected for this gene.

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