Detailed information for compound 1496850

Basic information

Technical information
  • TDR Targets ID: 1496850
  • Name: N'-[4-chloro-6-(propan-2-ylamino)-1,3,5-triaz in-2-yl]-2-(phenoxy)propanehydrazide
  • MW: 350.803 | Formula: C15H19ClN6O2
  • H donors: 3 H acceptors: 4 LogP: 3.98 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Nc1nc(NNC(=O)C(Oc2ccccc2)C)nc(n1)Cl)C
  • InChi: 1S/C15H19ClN6O2/c1-9(2)17-14-18-13(16)19-15(20-14)22-21-12(23)10(3)24-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,21,23)(H2,17,18,19,20,22)
  • InChiKey: AAWWPMWEAAMDLI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[4-chloro-6-(isopropylamino)-1,3,5-triazin-2-yl]-2-(phenoxy)propanehydrazide
  • N'-[4-chloro-6-(isopropylamino)-s-triazin-2-yl]-2-(phenoxy)propionohydrazide
  • BAS 01321627
  • 2-Phenoxy-propionic acid N'-(4-chloro-6-isopropylamino-[1,3,5]triazin-2-yl)-hydrazide
  • MLS000561707
  • SMR000176849
  • STOCK1S-14114

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 thymidylate kinase 0.0367 1 1
Loa Loa (eye worm) carboxylesterase 0.0204 0.4996 0.4996
Trypanosoma brucei glucosidase, putative 0.0044 0.0069 0.0069
Echinococcus multilocularis thymidylate kinase 0.0367 1 1
Schistosoma mansoni thymidylate kinase 0.0367 1 1
Trichomonas vaginalis thymidylate kinase, putative 0.0367 1 1
Onchocerca volvulus Putative thymidylate kinase 0.0367 1 1
Entamoeba histolytica Thymidylate kinase, putative 0.0367 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 0.4996 0.4996
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0069 0.0069
Trypanosoma cruzi thymidylate kinase, putative 0.0367 1 1
Brugia malayi Carboxylesterase family protein 0.0204 0.4996 0.4996
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0069 0.0069
Echinococcus granulosus acetylcholinesterase 0.0204 0.4996 0.4996
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.4773 0.4773
Loa Loa (eye worm) hypothetical protein 0.0204 0.4996 0.4996
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0204 0.4996 0.4996
Mycobacterium ulcerans thymidylate kinase 0.0367 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4773 0.4773
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0069 0.0069
Plasmodium vivax thymidylate kinase, putative 0.0367 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0069 0.0069
Schistosoma mansoni hypothetical protein 0.0367 1 1
Leishmania major hypothetical protein, conserved 0.0144 0.3152 0.3152
Loa Loa (eye worm) thymidylate kinase 0.0367 1 1
Trypanosoma brucei thymidylate kinase, putative 0.0367 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0069 0.0069
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0069 0.0069
Toxoplasma gondii thymidylate kinase 0.0367 1 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0069 0.0069
Echinococcus granulosus carboxylesterase 5A 0.0204 0.4996 0.4996
Echinococcus granulosus acetylcholinesterase 0.0204 0.4996 0.4996
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0069 0.0069
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0069 0.0069
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0069 0.0069
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.6858 0.6858
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0367 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0069 0.0069
Echinococcus multilocularis acetylcholinesterase 0.0204 0.4996 0.4996
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4773 0.4773
Echinococcus multilocularis geminin 0.0205 0.5016 0.5016
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0367 1 1
Echinococcus granulosus geminin 0.0205 0.5016 0.5016
Schistosoma mansoni hypothetical protein 0.0205 0.5016 0.5016
Schistosoma mansoni alpha glucosidase 0.0044 0.0069 0.0069
Trypanosoma brucei thymidylate kinase, putative 0.0367 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0069 0.0069
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0069 0.0069
Plasmodium falciparum thymidylate kinase 0.0367 1 0.5
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0144 0.3152 0.3152
Schistosoma mansoni alpha-glucosidase 0.0169 0.3931 0.3931
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.4773 0.4773
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0069 0.0069
Onchocerca volvulus 0.0114 0.2224 0.2224
Echinococcus multilocularis carboxylesterase 5A 0.0204 0.4996 0.4996
Leishmania major thymidylate kinase-like protein 0.0367 1 1
Brugia malayi Carboxylesterase family protein 0.0204 0.4996 0.4996
Trichomonas vaginalis thymidylate kinase, putative 0.0367 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.4773 0.4773
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0069 0.0069
Echinococcus multilocularis acetylcholinesterase 0.0204 0.4996 0.4996
Treponema pallidum thymidylate kinase (tmk) 0.0367 1 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.3931 0.3931
Schistosoma mansoni hypothetical protein 0.0205 0.5016 0.5016
Chlamydia trachomatis thymidylate kinase 0.0367 1 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0204 0.4996 0.4996
Trypanosoma cruzi thymidylate kinase, putative 0.0367 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0069 0.0069
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0144 0.3152 0.3152
Giardia lamblia CDC8 0.0367 1 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0069 0.0069
Echinococcus granulosus thymidylate kinase 0.0367 1 1
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0367 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6511 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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