Detailed information for compound 857486

Basic information

Technical information
  • TDR Targets ID: 857486
  • Name: N'-(4-methylphenyl)-N-[[4-[(E)-[[4-[(4-methyl phenyl)amino]-6-morpholin-4-yl-1,3,5-triazin- 2-yl]hydrazinylidene]methyl]phenyl]methyliden eamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-d iamine
  • MW: 700.795 | Formula: C36H40N14O2
  • H donors: 4 H acceptors: 6 LogP: 6.57 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(cc1)Nc1nc(N/N=C/c2ccc(cc2)/C=N/Nc2nc(Nc3ccc(cc3)C)nc(n2)N2CCOCC2)nc(n1)N1CCOCC1
  • InChi: 1S/C36H40N14O2/c1-25-3-11-29(12-4-25)39-31-41-33(45-35(43-31)49-15-19-51-20-16-49)47-37-23-27-7-9-28(10-8-27)24-38-48-34-42-32(40-30-13-5-26(2)6-14-30)44-36(46-34)50-17-21-52-22-18-50/h3-14,23-24H,15-22H2,1-2H3,(H2,39,41,43,45,47)(H2,40,42,44,46,48)/b37-23+,38-24+
  • InChiKey: PHFNZHUBJAAJGC-DNJOOXRZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(4-methylphenyl)-N-[[4-[(E)-[[4-[(4-methylphenyl)amino]-6-morpholino-1,3,5-triazin-2-yl]hydrazono]methyl]phenyl]methyleneamino]-6-morpholino-1,3,5-triazine-2,4-diamine
  • (4-methylphenyl)-[4-[(N'E)-N'-[4-[(E)-[[4-[(4-methylphenyl)amino]-6-morpholino-s-triazin-2-yl]hydrazono]methyl]benzylidene]hydrazino]-6-morpholino-s-triazin-2-yl]amine
  • A0351/0016196

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
Brugia malayi gamma-secretase subunit aph-1 0.596466 1 1
Trypanosoma brucei Aph-1 protein, putative 0.233856 0.38109 1
Trypanosoma cruzi Aph-1 protein, putative 0.233856 0.38109 1
Brugia malayi gamma-secretase subunit pen-2 0.027707 0.0292324 0.0292324
Echinococcus multilocularis gamma secretase subunit aph 1 0.596466 1 1
Echinococcus multilocularis presenilin enhancer 2 0.027707 0.0292324 0.0226389
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0298477 0.0328861 0.5
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0298477 0.0328861 1
Echinococcus granulosus presenilin 0.0298477 0.0328861 0.0263175
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0298477 0.0328861 1
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0298477 0.0328861 0.0263175
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.027707 0.0292324 0.0292324
Loa Loa (eye worm) hypothetical protein 0.0145326 0.00674617 0.00674617
Entamoeba histolytica presenilin 1 peptidase, putative 0.0298477 0.0328861 0.5
Echinococcus multilocularis presenilin 0.0298477 0.0328861 0.0263175
Toxoplasma gondii hypothetical protein 0.0105802 0 0.5
Trypanosoma cruzi Aph-1 protein, putative 0.233856 0.38109 1
Brugia malayi Presenilin family protein 0.0298477 0.0328861 0.0328861
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.596466 1 1
Echinococcus granulosus presenilin enhancer 2 0.027707 0.0292324 0.0226389
Brugia malayi hypothetical protein 0.0145326 0.00674617 0.00674617
Echinococcus granulosus gamma secretase subunit aph 1 0.596466 1 1
Brugia malayi hypothetical protein 0.0145326 0.00674617 0.00674617
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0298477 0.0328861 1
Schistosoma mansoni gamma-secretase subunit aph-1 0.596466 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.43 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 1.4326 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) 1.5779 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 1.58 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
Percent growth inhibition (functional) = 94.7 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 112.9 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20485428

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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