Detailed information for compound 1178999

Basic information

Technical information
  • TDR Targets ID: 1178999
  • Name: N2-[3-[1-[3-[(4,6-diamino-1,3,5-triazin-2-yl) amino]propylamino]propan-2-ylamino]propyl]-1, 3,5-triazine-2,4,6-triamine
  • MW: 406.493 | Formula: C15H30N14
  • H donors: 8 H acceptors: 6 LogP: 0.36 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(NCCCNc1nc(N)nc(n1)N)CNCCCNc1nc(N)nc(n1)N
  • InChi: 1S/C15H30N14/c1-9(21-5-3-7-23-15-28-12(18)25-13(19)29-15)8-20-4-2-6-22-14-26-10(16)24-11(17)27-14/h9,20-21H,2-8H2,1H3,(H5,16,17,22,24,26,27)(H5,18,19,23,25,28,29)
  • InChiKey: OMCWMHKRJODTLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N2-[3-[[2-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]-1-methyl-ethyl]amino]propyl]-1,3,5-triazine-2,4,6-triamine
  • N2-[3-[[2-[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propylamino]-1-methylethyl]amino]propyl]-1,3,5-triazine-2,4,6-triamine
  • 3-[(4,6-diamino-s-triazin-2-yl)amino]propyl-[2-[3-[(4,6-diamino-s-triazin-2-yl)amino]propylamino]-1-methyl-ethyl]amine

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
Entamoeba histolytica hypothetical protein 0.0038 0.0473 0.1562
Plasmodium vivax SET domain protein, putative 0.0035 0.0379 0.41
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0103 0.2564 0.2564
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0473 0.0473
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0379 0.0379
Mycobacterium ulcerans lipase LipD 0.0039 0.0526 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0526 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0103 0.2564 0.2885
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2564 0.2816
Schistosoma mansoni hypothetical protein 0.0036 0.0408 0.0408
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0379 0.0379
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0302 0.8885 0.8885
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0526 0.05
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.8885 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0526 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0379 0.0379
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0103 0.2564 0.2564
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0103 0.2564 0.2564
Brugia malayi Muscleblind-like protein 0.0174 0.4813 0.5417
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0526 0.1093
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0408 0.0408
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.2865 0.3224
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0526 0.05
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0974 0.0974
Loa Loa (eye worm) hypothetical protein 0.0174 0.4813 0.4813
Loa Loa (eye worm) hypothetical protein 0.0039 0.0526 0.0526
Schistosoma mansoni hypothetical protein 0.0077 0.1728 0.1728
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0379 0.0379
Loa Loa (eye worm) beta-lactamase 0.0039 0.0526 0.0526
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.5579 0.6243
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0526 0.05
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0277 0.0277
Entamoeba histolytica serine/threonine protein kinase, putative 0.0103 0.2564 1
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.5579 0.6243
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0408 0.0408
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0974 0.0974
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0974 0.0974
Brugia malayi Importin beta-1 subunit 0.0032 0.0277 0.0311
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.7289 1
Giardia lamblia Kinase, PLK 0.0103 0.2564 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0379 0.0379
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0526 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.2564 1
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0901 0.0926
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.2564 1
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.8885 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0526 0.0526
Trichomonas vaginalis esterase, putative 0.0039 0.0526 0.05
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.8885 1
Echinococcus granulosus GPCR family 2 0.0036 0.0408 0.0408
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.5579 0.6243
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.2865 0.2865
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0526 0.1776
Brugia malayi beta-lactamase family protein 0.0039 0.0526 0.0592
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2564 0.2816
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0379 0.0379
Echinococcus granulosus importin subunit beta 1 0.0032 0.0277 0.0277
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0103 0.2564 1
Entamoeba histolytica hypothetical protein 0.0038 0.0473 0.1562
Trichomonas vaginalis glucosylceramidase, putative 0.0209 0.5919 0.6629
Loa Loa (eye worm) hypothetical protein 0.0039 0.0526 0.0526
Schistosoma mansoni kinase 0.0053 0.0945 0.0945
Echinococcus multilocularis muscleblind protein 0.0174 0.4813 0.4813
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0408 0.0408
Onchocerca volvulus 0.0039 0.0526 0.0653
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0526 0.0526
Onchocerca volvulus 0.0035 0.0379 0.047
Schistosoma mansoni hypothetical protein 0.0036 0.0408 0.0408
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2564 0.2816
Trypanosoma brucei polo-like protein kinase 0.0103 0.2564 1
Mycobacterium leprae Probable lipase LipE 0.0039 0.0526 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0974 0.0974
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0526 0.05
Brugia malayi RNA, U transporter 1 0.009 0.2129 0.2397
Loa Loa (eye worm) hypothetical protein 0.0174 0.4813 0.4813
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0526 0.05
Schistosoma mansoni hypothetical protein 0.0036 0.0408 0.0408
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0526 0.1776
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0974 0.1097
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0526 0.0592
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2564 0.2816
Trichomonas vaginalis glucosylceramidase, putative 0.0209 0.5919 0.6629
Onchocerca volvulus 0.0276 0.8059 1
Schistosoma mansoni hypothetical protein 0.0038 0.0473 0.0473
Onchocerca volvulus Glucosylceramidase homolog 0.0198 0.5579 0.6923
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0408 0.0408
Schistosoma mansoni importin beta-1 0.0032 0.0277 0.0277
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0974 0.0974
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0302 0.8885 1
Mycobacterium ulcerans beta-lactamase 0.0039 0.0526 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0077 0.1728 0.1728
Loa Loa (eye worm) hypothetical protein 0.0036 0.0408 0.0408
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.8885 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0526 0.0526
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0408 0.046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0379 0.0379
Plasmodium falciparum importin beta, putative 0.0032 0.0277 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0526 0.0526
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.5579 0.6243
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0526 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0526 0.0526
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0974 0.0974
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.8885 1
Toxoplasma gondii ABC1 family protein 0.0039 0.0526 1
Brugia malayi Pre-SET motif family protein 0.0035 0.0379 0.0427
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.5579 0.6243
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0338 0.0338
Brugia malayi beta-lactamase family protein 0.0039 0.0526 0.0592
Loa Loa (eye worm) hypothetical protein 0.0032 0.0277 0.0277
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.1728 0.1945
Echinococcus granulosus muscleblind protein 0.0174 0.4813 0.4813
Echinococcus multilocularis muscleblind protein 1 0.0174 0.4813 0.4813
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2564 0.2816
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0473 0.0473
Brugia malayi Pre-SET motif family protein 0.0243 0.6992 0.787
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0408 0.046
Onchocerca volvulus Serine\/threonine kinase homolog 0.0103 0.2564 0.3181
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0901 0.0926
Onchocerca volvulus 0.0039 0.0526 0.0653
Entamoeba histolytica hypothetical protein 0.0038 0.0473 0.1562
Mycobacterium ulcerans hypothetical protein 0.0039 0.0526 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.2865 0.2865
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.5579 0.6243
Brugia malayi beta-lactamase 0.0039 0.0526 0.0592
Trichomonas vaginalis set domain proteins, putative 0.0276 0.8059 0.9061
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0379 0.41
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.5579 0.6243
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0974 0.0974
Loa Loa (eye worm) hypothetical protein 0.0039 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.0039 0.0526 0.0526
Brugia malayi hypothetical protein 0.0038 0.0473 0.0533
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0473 0.0473
Onchocerca volvulus 0.0039 0.0526 0.0653
Loa Loa (eye worm) hypothetical protein 0.0039 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.0035 0.0379 0.0379
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0974 0.0974
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2564 0.2816
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.2865 0.3224
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0526 0.0526
Entamoeba histolytica hypothetical protein 0.0038 0.0473 0.1562
Trichomonas vaginalis glucosylceramidase, putative 0.0302 0.8885 1
Echinococcus multilocularis GPCR, family 2 0.0036 0.0408 0.0408
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2564 0.2564
Schistosoma mansoni hypothetical protein 0.0036 0.0408 0.0408
Leishmania major hypothetical protein, conserved 0.0039 0.0526 0.1776
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2564 0.2816
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.6992 0.6992

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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