Detailed information for compound 1083455

Basic information

Technical information
  • TDR Targets ID: 1083455
  • Name: 1-(4-chlorophenyl)-2-[4-(2-diethylaminoethyla mino)-6-methylpyrimidin-2-yl]guanidine
  • MW: 375.899 | Formula: C18H26ClN7
  • H donors: 3 H acceptors: 2 LogP: 3.3 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNc1nc(nc(c1)C)NC(=N)Nc1ccc(cc1)Cl)CC
  • InChi: 1S/C18H26ClN7/c1-4-26(5-2)11-10-21-16-12-13(3)22-18(24-16)25-17(20)23-15-8-6-14(19)7-9-15/h6-9,12H,4-5,10-11H2,1-3H3,(H4,20,21,22,23,24,25)
  • InChiKey: JWBWVGDXXKLUEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-chlorophenyl)-2-[4-(2-diethylaminoethylamino)-6-methyl-pyrimidin-2-yl]guanidine
  • 1-(4-chlorophenyl)-2-[4-(2-diethylaminoethylamino)-6-methyl-2-pyrimidinyl]guanidine
  • 4364-73-2
  • 5-25-12-00094 (Beilstein Handbook Reference)
  • BRN 0350774
  • GUANIDINE, 1-(p-CHLOROPHENYL)-3-(4-((2-(DIETHYLAMINO)ETHYL)AMINO)-6-METHYL-2-PYR
  • Guanidine, 1-(p-chlorophenyl)-3-(4-((2-(diethylamino)ethyl)amino)-6-methyl-2-pyrimidinyl)-
  • ICI 3349
  • N-(4-Chlorophenyl)-N'-(4-((2-(diethylamino)ethyl)amino)-6-methyl-2-pyrimidinyl)guanidine
  • AIDS-088427
  • AIDS088427
  • N-(4-Chloro-phenyl)-N'-[4-(2-diethylamino-ethylamino)-6-methyl-pyrimidin-2-yl]-guanidine
  • 1-(p-Chlorophenyl)-3-2(4-[[2-diethylamino)ethyl]amino}-6-methyl-2-pyrimidinyl)guanidine

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
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0591 0.0866
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0591 0.5686
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0309 0.1138
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0514 0.444
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0591 0.6599
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0591 0.5686
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0591 0.0866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0317 0.1267
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0386 0.2387
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0047 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0038 0.0591 0.0866
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0662 0.6827
Brugia malayi RNA recognition motif domain containing protein 0.0257 0.6826 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0591 0.0866
Schistosoma mansoni tar DNA-binding protein 0.0257 0.6826 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0514 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.086 1
Schistosoma mansoni tar DNA-binding protein 0.0257 0.6826 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0514 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.086 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0591 0.0243
Loa Loa (eye worm) hypothetical protein 0.0038 0.0591 0.0866
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0591 0.5686
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0591 0.0591
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0047 0.086 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0239 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.086 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0309 0.1138
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1058 0.155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0584 0.556
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.0585 0.6514
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0568 0.0832
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0047 0.086 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0591 0.0866
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0591 0.0591
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0415 0.2856
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.086 0.1259
Echinococcus multilocularis tumor protein p63 0.0368 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0568 0.0832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0239 0.0018
Onchocerca volvulus 0.0054 0.1046 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0584 0.556
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0591 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0047 0.086 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1058 0.155
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1058 0.155
Leishmania major hypothetical protein, conserved 0.0038 0.0591 0.0243
Schistosoma mansoni tar DNA-binding protein 0.0257 0.6826 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0584 0.556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0239 0.0018
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.1046 0.1532
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0257 0.6826 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0047 0.086 0.5
Brugia malayi TAR-binding protein 0.0257 0.6826 1
Mycobacterium ulcerans lipase LipD 0.0038 0.0591 0.5
Echinococcus multilocularis tar DNA binding protein 0.0257 0.6826 0.6826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0514 0.444
Loa Loa (eye worm) hypothetical protein 0.0037 0.0568 0.0832
Echinococcus granulosus tar DNA binding protein 0.0257 0.6826 0.6826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0584 0.556
Loa Loa (eye worm) beta-lactamase 0.0038 0.0591 0.0866
Loa Loa (eye worm) hypothetical protein 0.0038 0.0591 0.0866
Brugia malayi beta-lactamase 0.0038 0.0591 0.0866
Mycobacterium ulcerans hypothetical protein 0.0038 0.0591 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0514 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0317 0.1267
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0591 0.0243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0317 0.1267
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.6417 1
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.3217 0.4712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0514 0.444
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.086 0.1259
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0591 0.0866
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0047 0.086 0.086
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0047 0.086 0.1259
Loa Loa (eye worm) RNA binding protein 0.0257 0.6826 1
Brugia malayi RNA binding protein 0.0257 0.6826 1
Brugia malayi MH2 domain containing protein 0.013 0.3217 0.4712
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0047 0.086 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0591 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0047 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.1046 0.1532
Trichomonas vaginalis esterase, putative 0.0038 0.0591 0.5686
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0591 0.5
Mycobacterium leprae Probable lipase LipE 0.0038 0.0591 0.5
Toxoplasma gondii ABC1 family protein 0.0038 0.0591 1
Brugia malayi beta-lactamase family protein 0.0038 0.0591 0.0866
Loa Loa (eye worm) hypothetical protein 0.0038 0.0591 0.0866
Giardia lamblia GTOR 0.0047 0.086 0.5
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0591 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.1058 0.155
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0148 0.0985
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0047 0.086 1
Schistosoma mansoni tar DNA-binding protein 0.0257 0.6826 1
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.3217 0.4712
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0591 0.0866
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0047 0.086 1
Mycobacterium ulcerans beta-lactamase 0.0038 0.0591 0.5
Brugia malayi beta-lactamase family protein 0.0038 0.0591 0.0866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0514 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0239 0.0018
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0591 0.5686
Loa Loa (eye worm) TAR-binding protein 0.0257 0.6826 1
Schistosoma mansoni tar DNA-binding protein 0.0257 0.6826 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0584 0.556
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0591 0.5686

Activities

No activities found for this compound.

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

No literature references available for this target.

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