Detailed information for compound 1031719

Basic information

Technical information
  • TDR Targets ID: 1031719
  • Name: 5-(2,4-dichlorophenyl)-3-methoxy-6-methyl-N-p entan-3-ylpyrazin-2-amine
  • MW: 354.274 | Formula: C17H21Cl2N3O
  • H donors: 1 H acceptors: 2 LogP: 5.58 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(Nc1nc(C)c(nc1OC)c1ccc(cc1Cl)Cl)CC
  • InChi: 1S/C17H21Cl2N3O/c1-5-12(6-2)21-16-17(23-4)22-15(10(3)20-16)13-8-7-11(18)9-14(13)19/h7-9,12H,5-6H2,1-4H3,(H,20,21)
  • InChiKey: JCUSEPNVGUVELM-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(2,4-dichlorophenyl)-N-(1-ethylpropyl)-3-methoxy-6-methyl-pyrazin-2-amine
  • 5-(2,4-dichlorophenyl)-N-(1-ethylpropyl)-3-methoxy-6-methyl-2-pyrazinamine
  • [5-(2,4-dichlorophenyl)-3-methoxy-6-methyl-pyrazin-2-yl]-(1-ethylpropyl)amine
  • 5-(2,4-dichlorophenyl)-3-methoxy-6-methyl-N-pentan-3-yl-pyrazin-2-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens corticotropin releasing hormone receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760

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 corticotropin releasing hormone receptor 1 444 aa 445 aa 25.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus lysosomal alpha glucosidase 0.0692 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0072 0.0584 0.0572
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Brugia malayi Heterochromatin protein 1 0.0142 0.1646 0.1636
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Giardia lamblia PHD finger protein 15 0.0059 0.0394 0.5
Toxoplasma gondii melibiase subfamily protein 0.065 0.9358 1
Echinococcus granulosus peptidase Clp S14 family 0.011 0.1159 0.1148
Schistosoma mansoni alpha-glucosidase 0.0596 0.8537 0.9121
Brugia malayi Bromodomain containing protein 0.0059 0.0394 0.0383
Leishmania major glycosyl hydrolase-like protein 0.0057 0.0362 0.1982
Echinococcus multilocularis chromobox protein 1 0.0142 0.1646 0.1636
Schistosoma mansoni peptidase Clp (S14 family) 0.0167 0.2034 0.2164
Echinococcus multilocularis lysine specific demethylase 5A 0.0072 0.0584 0.0572
Onchocerca volvulus Alhambra homolog 0.0059 0.0394 0.0052
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0086 0.0792 0.0687
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1348 0.1337
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0433 0.6072 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0079 0.07 0.0541
Brugia malayi MH2 domain containing protein 0.0122 0.1348 0.1337
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0081 0.0069
Brugia malayi Glycosyl hydrolases family 31 protein 0.0057 0.0362 0.035
Loa Loa (eye worm) hypothetical protein 0.0167 0.2034 0.2025
Loa Loa (eye worm) hypothetical protein 0.0059 0.0394 0.0383
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0154 0.1825 0.1815
Brugia malayi Probable ClpP-like protease 0.0167 0.2034 0.2025
Onchocerca volvulus 0.04 0.557 0.832
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0508 0.053
Loa Loa (eye worm) hypothetical protein 0.0245 0.3218 0.321
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.011 0.1159 0.4744
Schistosoma mansoni alpha glucosidase 0.0154 0.1825 0.1939
Echinococcus multilocularis lysosomal alpha glucosidase 0.0692 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0692 1 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.065 0.9358 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0584 0.0612
Schistosoma mansoni jumonji domain containing protein 0.0154 0.1838 0.1953
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0167 0.2034 1
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0394 0.0153
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0407 0.0396
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0508 0.2784
Toxoplasma gondii Alpha-galactosidase 0.0092 0.089 0.0951
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0154 0.1825 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.07 0.1153
Trichomonas vaginalis sucrase-isomaltase, putative 0.0154 0.1825 0.3005
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0508 0.0496
Onchocerca volvulus 0.0062 0.044 0.0124
Schistosoma mansoni chromobox protein 0.0142 0.1646 0.1748
Echinococcus multilocularis PHD finger protein rhinoceros 0.0059 0.0394 0.0383
Trypanosoma brucei glycosyl hydrolase-like protein 0.0057 0.0362 0.1982
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0508 0.0496
Echinococcus granulosus chromobox protein 1 0.0142 0.1646 0.1636
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0433 0.6072 0.6484
Echinococcus multilocularis peregrin 0.0059 0.0394 0.0383
Trichomonas vaginalis chromobox protein, putative 0.0086 0.0792 0.1304
Trichomonas vaginalis chromobox protein, putative 0.0142 0.1646 0.2711
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0508 0.2784
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0508 0.2784
Echinococcus granulosus peregrin 0.0059 0.0394 0.0383
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0167 0.2034 0.2174
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0508 0.0496
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0057 0.0362 0.1982
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.0584 0.0572
Loa Loa (eye worm) hypothetical protein 0.0057 0.0362 0.035
Echinococcus granulosus jumonji domain containing protein 0.0083 0.0747 0.0736
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1348 0.1337
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.011 0.1159 0.5
Echinococcus granulosus chromobox protein 1 0.0142 0.1646 0.1636
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0508 0.0496
Trichomonas vaginalis rotamase, putative 0.0034 0.0012 0.002
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0154 0.1825 0.1815
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0057 0.0362 0.1982
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0508 0.2784
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0194 0.2444 0.2435
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.1825 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0059 0.0394 0.0409
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0154 0.1825 0.3005
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0118 0.0106
Brugia malayi jmjC domain containing protein 0.0194 0.2444 0.2435
Echinococcus multilocularis jumonji domain containing protein 0.0083 0.0747 0.0736
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.065 0.9358 1
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0348 0.0573
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0348 0.0573
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0508 0.2784
Trypanosoma brucei glucosidase, putative 0.0154 0.1825 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0092 0.089 0.0939
Brugia malayi PHD-finger family protein 0.0059 0.0394 0.0383
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0154 0.1825 1
Schistosoma mansoni hypothetical protein 0.0059 0.0394 0.0409
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0407 0.0396
Echinococcus multilocularis lysosomal alpha glucosidase 0.0692 1 1
Schistosoma mansoni chromobox protein 0.0142 0.1646 0.1748
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.065 0.9358 0.9358
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.2594 0.2585
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.011 0.1159 0.5
Schistosoma mansoni alpha-glucosidase 0.0596 0.8537 0.9121
Brugia malayi hypothetical protein 0.047 0.6622 0.6618
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0584 0.0612
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0394 0.0421
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0057 0.0362 0.1982
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0057 0.0362 0.0596
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.3218 0.321
Loa Loa (eye worm) hypothetical protein 0.0062 0.044 0.0428
Loa Loa (eye worm) jmjC domain-containing protein 0.0123 0.1354 0.1343
Trichomonas vaginalis chromobox protein, putative 0.0142 0.1646 0.2711
Loa Loa (eye worm) hypothetical protein 0.0102 0.1038 0.1027
Echinococcus multilocularis neutral alpha glucosidase AB 0.0154 0.1825 0.1815
Loa Loa (eye worm) hypothetical protein 0.047 0.6622 0.6618
Loa Loa (eye worm) PHD-finger family protein 0.0059 0.0394 0.0383
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 0.5
Echinococcus multilocularis chromobox protein 1 0.0142 0.1646 0.1636
Brugia malayi Melibiase family protein 0.0433 0.6072 0.6067
Trichomonas vaginalis maltase-glucoamylase, putative 0.0057 0.0362 0.0596
Trichomonas vaginalis chromobox protein, putative 0.0086 0.0792 0.1304
Onchocerca volvulus 0.047 0.6622 1
Loa Loa (eye worm) hypothetical protein 0.0433 0.6072 0.6067
Toxoplasma gondii hypothetical protein 0.0058 0.0369 0.0394
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.2594 0.2585
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0154 0.1825 0.195
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.07 0.1153
Brugia malayi jmjC domain containing protein 0.0072 0.0584 0.0572
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0057 0.0362 0.0596
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.065 0.9358 0.9358
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0167 0.2034 0.2025
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0167 0.2034 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0154 0.1825 0.3005
Loa Loa (eye worm) hypothetical protein 0.0079 0.07 0.0689
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0167 0.2034 0.2025
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0433 0.6072 0.6484
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0394 0.0421
Echinococcus granulosus PHD finger protein rhinoceros 0.0059 0.0394 0.0383
Leishmania major alpha glucosidase II subunit, putative 0.0154 0.1825 1
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0081 0.0069
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0012 0.002
Schistosoma mansoni hypothetical protein 0.0041 0.0118 0.0113
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0154 0.1825 0.3005
Echinococcus multilocularis peptidase Clp (S14 family) 0.011 0.1159 0.1148
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.065 0.9358 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Plasmodium falciparum phd finger protein, putative 0.0059 0.0394 0.0153
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0167 0.2034 0.2174
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.1825 1
Brugia malayi chromobox protein homolog 3 0.0079 0.07 0.0689
Echinococcus granulosus neutral alpha glucosidase AB 0.0154 0.1825 0.1815
Echinococcus multilocularis Glycoside hydrolase, family 27 0.065 0.9358 0.9358
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.065 0.9358 1
Loa Loa (eye worm) heterochromatin protein 1 0.0142 0.1646 0.1636
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0194 0.2444 0.2435
Loa Loa (eye worm) hypothetical protein 0.0041 0.0118 0.0106

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.3 nM Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting ChEMBL. 21618986

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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