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  


Substructure search Similarity search

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
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
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing 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
Giardia lamblia PHD finger protein 15 0.0059 0.0394 0.5
Echinococcus granulosus jumonji domain containing protein 0.0083 0.0747 0.0736
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0154 0.1825 0.3005
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0433 0.6072 0.6484
Plasmodium falciparum phd finger protein, putative 0.0059 0.0394 0.0153
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0508 0.2784
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.07 0.1153
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0057 0.0362 0.0596
Echinococcus granulosus chromobox protein 1 0.0142 0.1646 0.1636
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.3218 0.321
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0584 0.0612
Brugia malayi hypothetical protein 0.047 0.6622 0.6618
Onchocerca volvulus 0.04 0.557 0.832
Brugia malayi PHD-finger family protein 0.0059 0.0394 0.0383
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0348 0.0573
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0167 0.2034 0.2025
Brugia malayi Glycosyl hydrolases family 31 protein 0.0154 0.1825 0.1815
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.011 0.1159 0.1148
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Echinococcus multilocularis peregrin 0.0059 0.0394 0.0383
Trichomonas vaginalis chromobox protein, putative 0.0142 0.1646 0.2711
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
Brugia malayi jmjC domain containing protein 0.0072 0.0584 0.0572
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0508 0.053
Toxoplasma gondii hypothetical protein 0.0058 0.0369 0.0394
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.07 0.1153
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Schistosoma mansoni jumonji domain containing protein 0.0154 0.1838 0.1953
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0154 0.1825 0.1815
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.011 0.1159 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0394 0.0421
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Loa Loa (eye worm) hypothetical protein 0.0167 0.2034 0.2025
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0407 0.0396
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Mycobacterium ulcerans 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
Brugia malayi Melibiase family protein 0.0433 0.6072 0.6067
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0092 0.089 0.0939
Trichomonas vaginalis chromobox protein, putative 0.0086 0.0792 0.1304
Loa Loa (eye worm) hypothetical protein 0.0433 0.6072 0.6067
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0154 0.1825 0.3005
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0508 0.2784
Echinococcus granulosus chromobox protein 1 0.0142 0.1646 0.1636
Brugia malayi MH2 domain containing protein 0.0122 0.1348 0.1337
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0081 0.0069
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1038 0.1027
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0508 0.0496
Echinococcus multilocularis lysosomal alpha glucosidase 0.0692 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.0584 0.0572
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0154 0.1825 0.195
Brugia malayi jmjC domain containing protein 0.0194 0.2444 0.2435
Schistosoma mansoni alpha-glucosidase 0.0596 0.8537 0.9121
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0407 0.0396
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0079 0.07 0.0541
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0057 0.0362 0.1982
Toxoplasma gondii melibiase subfamily protein 0.065 0.9358 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0118 0.0106
Loa Loa (eye worm) jmjC domain-containing protein 0.0123 0.1354 0.1343
Loa Loa (eye worm) hypothetical protein 0.0057 0.0362 0.035
Echinococcus granulosus peregrin 0.0059 0.0394 0.0383
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0012 0.002
Loa Loa (eye worm) hypothetical protein 0.0245 0.3218 0.321
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.065 0.9358 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Schistosoma mansoni chromobox protein 0.0142 0.1646 0.1748
Loa Loa (eye worm) heterochromatin protein 1 0.0142 0.1646 0.1636
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0508 0.0496
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Brugia malayi Heterochromatin protein 1 0.0142 0.1646 0.1636
Schistosoma mansoni hypothetical protein 0.0041 0.0118 0.0113
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0167 0.2034 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.065 0.9358 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0118 0.0106
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.065 0.9358 0.9358
Loa Loa (eye worm) PHD-finger family protein 0.0059 0.0394 0.0383
Loa Loa (eye worm) hypothetical protein 0.0059 0.0394 0.0383
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0081 0.0069
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0057 0.0362 0.1982
Trypanosoma brucei glycosyl hydrolase-like protein 0.0057 0.0362 0.1982
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Echinococcus multilocularis PHD finger protein rhinoceros 0.0059 0.0394 0.0383
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0508 0.2784
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0433 0.6072 0.6484
Echinococcus multilocularis lysosomal alpha glucosidase 0.0692 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.011 0.1159 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.011 0.1159 0.4744
Toxoplasma gondii Alpha-galactosidase 0.0092 0.089 0.0951
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0508 0.0496
Trichomonas vaginalis maltase-glucoamylase, putative 0.0057 0.0362 0.0596
Leishmania major glycosyl hydrolase-like protein 0.0057 0.0362 0.1982
Brugia malayi Bromodomain containing protein 0.0059 0.0394 0.0383
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0059 0.0394 0.0409
Brugia malayi Glycosyl hydrolases family 31 protein 0.0057 0.0362 0.035
Schistosoma mansoni peptidase Clp (S14 family) 0.0167 0.2034 0.2164
Onchocerca volvulus 0.0062 0.044 0.0124
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0508 0.2784
Schistosoma mansoni chromobox protein 0.0142 0.1646 0.1748
Brugia malayi chromobox protein homolog 3 0.0079 0.07 0.0689
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0167 0.2034 0.2174
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.065 0.9358 0.9358
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0433 0.6072 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0059 0.0394 0.0421
Echinococcus granulosus peptidase Clp S14 family 0.011 0.1159 0.1148
Echinococcus multilocularis lysine specific demethylase 5A 0.0072 0.0584 0.0572
Echinococcus multilocularis chromobox protein 1 0.0142 0.1646 0.1636
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0167 0.2034 0.2174
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0167 0.2034 1
Brugia malayi Probable ClpP-like protease 0.0167 0.2034 0.2025
Schistosoma mansoni alpha-glucosidase 0.0596 0.8537 0.9121
Loa Loa (eye worm) hypothetical protein 0.0079 0.07 0.0689
Echinococcus multilocularis jumonji domain containing protein 0.0083 0.0747 0.0736
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0194 0.2444 0.2435
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0057 0.0362 0.0596
Echinococcus granulosus PHD finger protein rhinoceros 0.0059 0.0394 0.0383
Echinococcus multilocularis chromobox protein 1 0.0142 0.1646 0.1636
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0348 0.0573
Schistosoma mansoni alpha glucosidase 0.0154 0.1825 0.1939
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1348 0.1337
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0508 0.0496
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0057 0.0362 0.1982
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0167 0.2034 0.2025
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Onchocerca volvulus 0.047 0.6622 1
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) glycosyl hydrolase family 31 protein 0.0692 1 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0154 0.1825 0.3005
Onchocerca volvulus Alhambra homolog 0.0059 0.0394 0.0052
Schistosoma mansoni hypothetical protein 0.0059 0.0394 0.0409
Trichomonas vaginalis maltase-glucoamylase, putative 0.0154 0.1825 0.3005
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.065 0.9358 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0154 0.1825 0.1815
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.2594 0.2585
Trichomonas vaginalis chromobox protein, putative 0.0086 0.0792 0.1304
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0167 0.2034 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0154 0.1825 0.1815
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0086 0.0792 0.0687
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.1825 1
Trichomonas vaginalis rotamase, putative 0.0034 0.0012 0.002
Trichomonas vaginalis alpha-glucosidase, putative 0.0057 0.0362 0.0596
Echinococcus granulosus lysine specific demethylase 5A 0.0072 0.0584 0.0572
Leishmania major alpha glucosidase II subunit, putative 0.0154 0.1825 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0692 1 1
Loa Loa (eye worm) hypothetical protein 0.047 0.6622 0.6618
Trypanosoma brucei glucosidase, putative 0.0154 0.1825 1
Trichomonas vaginalis chromobox protein, putative 0.0142 0.1646 0.2711
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.1825 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0154 0.1825 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0154 0.1825 0.3005
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0194 0.2444 0.2435
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0508 0.2784
Loa Loa (eye worm) hypothetical protein 0.0062 0.044 0.0428
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0154 0.1825 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.2594 0.2585
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0394 0.0153

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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