Detailed information for compound 1031697

Basic information

Technical information
  • TDR Targets ID: 1031697
  • Name: 5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-N-pen tan-3-ylpyrazin-2-amine
  • MW: 352.301 | Formula: C18H23Cl2N3
  • H donors: 1 H acceptors: 2 LogP: 6.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(Nc1nc(CC)c(nc1C)c1ccc(cc1Cl)Cl)CC
  • InChi: 1S/C18H23Cl2N3/c1-5-13(6-2)22-18-11(4)21-17(16(7-3)23-18)14-9-8-12(19)10-15(14)20/h8-10,13H,5-7H2,1-4H3,(H,22,23)
  • InChiKey: JSNDUPYHVNEBAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(2,4-dichlorophenyl)-6-ethyl-N-(1-ethylpropyl)-3-methyl-pyrazin-2-amine
  • 5-(2,4-dichlorophenyl)-6-ethyl-N-(1-ethylpropyl)-3-methyl-2-pyrazinamine
  • [5-(2,4-dichlorophenyl)-6-ethyl-3-methyl-pyrazin-2-yl]-(1-ethylpropyl)amine
  • 5-(2,4-dichlorophenyl)-6-ethyl-3-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
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
Echinococcus granulosus 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
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma brucei ISWI complex protein 0.0017 0.0165 0.1494
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.127 0.1183
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0396 0.0959
Echinococcus granulosus GPCR family 2 0.0019 0.0194 0.0568
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.0785 0.2303
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.4125 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.127 0.1183
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.127 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.4125 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0089 0.1416 0.133
Schistosoma mansoni hypothetical protein 0.0041 0.0578 0.2826
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0919 0.0829
Echinococcus granulosus zinc finger protein 0.0024 0.028 0.0821
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1516 0.4446
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.127 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0211 0.0513
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.0785 0.2303
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1877 0.4551
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1516 0.7419
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0089 0.1416 0.1107
Loa Loa (eye worm) hypothetical protein 0.0019 0.0194 0.0469
Trypanosoma brucei trypanothione reductase 0.0039 0.0544 1
Schistosoma mansoni hypothetical protein 0.0023 0.0271 0.1324
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0348 0.2125
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0573 0.168
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0578 0.14
Trichomonas vaginalis glutathione reductase, putative 0.0014 0.0099 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0736 0.1785
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.127 0.0956
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0339 0.1658
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.02 0.0978
Echinococcus multilocularis GPCR, family 2 0.0019 0.0194 0.0568
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1516 0.4446
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.127 0.3725
Onchocerca volvulus 0.0031 0.0396 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.127 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.1073 0.3147
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0194 0.0469
Brugia malayi Bromodomain containing protein 0.0044 0.062 0.1503
Schistosoma mansoni bromodomain containing protein 0.0074 0.1144 0.5599
Schistosoma mansoni hypothetical protein 0.0019 0.0194 0.0947
Mycobacterium tuberculosis Probable dehydrogenase 0.0089 0.1416 0.133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1516 0.7419
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0584 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0194 0.0568
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0099 0.1589 0.1505
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.1516 0.3675
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1516 0.7419
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0544 0.1318
Brugia malayi MH2 domain containing protein 0.0116 0.1877 0.4551
Loa Loa (eye worm) hypothetical protein 0.0041 0.0578 0.14
Plasmodium falciparum glutathione reductase 0.0039 0.0544 0.3798
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0211 0.062
Toxoplasma gondii thioredoxin reductase 0.0039 0.0544 0.0449
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0099 0.0289
Brugia malayi PHD-finger family protein 0.003 0.0386 0.0935
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0089 0.1416 0.133
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.1516 0.3675
Echinococcus granulosus cpg binding protein 0.0035 0.0464 0.136
Giardia lamblia NADH oxidase lateral transfer candidate 0.0014 0.0099 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0544 0.0449
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0573 0.168
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.1073 0.3147
Trypanosoma cruzi ISWI complex protein 0.0017 0.0165 0.1494
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0028 0.0081
Brugia malayi Probable ClpP-like protease 0.0081 0.127 0.308
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0063 0.0153
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1516 0.4446
Toxoplasma gondii pantoate-beta-alanine ligase 0.0584 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0194 0.0568
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0028 0.0081
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0908 0.2202
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0339 0.0993
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.341 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.127 0.308
Loa Loa (eye worm) hypothetical protein 0.0044 0.0621 0.1506
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0339 0.0993
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0099 0.0289
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0993 0.4862
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0099 0.1589 0.1505
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0211 0.1035
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0211 0.062
Echinococcus multilocularis cpg binding protein 0.0035 0.0464 0.136
Schistosoma mansoni hypothetical protein 0.0019 0.0194 0.0947
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0211 0.1035
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0348 0.2125
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.127 1
Trichomonas vaginalis mercuric reductase, putative 0.0014 0.0099 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.0464 0.2271
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.127 0.3725
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0089 0.1416 0.133
Brugia malayi Thioredoxin reductase 0.0039 0.0544 0.1318
Mycobacterium tuberculosis Probable oxidoreductase 0.0099 0.1589 0.1505
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0584 1 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.02 0.0586
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0212 0.0514
Loa Loa (eye worm) hypothetical protein 0.008 0.1261 0.3056
Schistosoma mansoni hypothetical protein 0.0019 0.0194 0.0947
Brugia malayi Bromodomain containing protein 0.0087 0.1376 0.3335
Schistosoma mansoni cpg binding protein 0.0035 0.0464 0.2271
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.02 0.0978
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0028 0.0067
Leishmania major trypanothione reductase 0.0039 0.0544 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0099 0.0483
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.341 1
Brugia malayi CXXC zinc finger family protein 0.0031 0.0396 0.0959
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0089 0.1416 0.133
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0544 1
Loa Loa (eye worm) glutathione reductase 0.0039 0.0544 0.1318
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.127 1
Leishmania major hypothetical protein, conserved 0.0017 0.0165 0.1494
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1877 0.4551
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0348 0.2125
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0785 0.0694
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0194 0.0469
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.127 0.1183
Schistosoma mansoni cpg binding protein 0.0031 0.0396 0.1937
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1516 0.4446
Echinococcus multilocularis zinc finger protein 0.0024 0.028 0.0821
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0099 0.0239
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0271 0.0656
Schistosoma mansoni peptidase Clp (S14 family) 0.0081 0.127 0.6217
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.001 0.0036 0.0087
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0785 0.0694
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.001 0.0036 0.0087
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0544 0.3798
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0194 0.0469
Schistosoma mansoni zinc finger protein 0.0024 0.028 0.1371
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.0785 0.0453
Brugia malayi glutathione reductase 0.0039 0.0544 0.1318
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0099 0.1589 0.1286
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0553 0.1621
Toxoplasma gondii hypothetical protein 0.0028 0.0348 0.0251
Plasmodium falciparum thioredoxin reductase 0.0039 0.0544 0.3798
Plasmodium vivax glutathione reductase, putative 0.0039 0.0544 0.3798
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0908 0.2202
Trypanosoma cruzi ISWI complex protein 0.0017 0.0165 0.1494
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.02 0.0586
Loa Loa (eye worm) hypothetical protein 0.0046 0.0668 0.1619
Schistosoma mansoni hypothetical protein 0.0019 0.0194 0.0947
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.127 1
Schistosoma mansoni zinc finger protein 0.0017 0.0165 0.0808
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0553 0.1621
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.127 0.1183
Schistosoma mansoni hypothetical protein 0.0017 0.0165 0.0808
Mycobacterium tuberculosis Probable reductase 0.0089 0.1416 0.133

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 54 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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