Detailed information for compound 1432100

Basic information

Technical information
  • TDR Targets ID: 1432100
  • Name: N'-(4-chloro-6-ethylamino-1,3,5-triazin-2-yl) -2-(phenoxy)propanehydrazide
  • MW: 336.777 | Formula: C14H17ClN6O2
  • H donors: 3 H acceptors: 4 LogP: 3.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1nc(NNC(=O)C(Oc2ccccc2)C)nc(n1)Cl
  • InChi: 1S/C14H17ClN6O2/c1-3-16-13-17-12(15)18-14(19-13)21-20-11(22)9(2)23-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,20,22)(H2,16,17,18,19,21)
  • InChiKey: YUVHOEPYVDSSLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(4-chloro-6-ethylamino-s-triazin-2-yl)-2-(phenoxy)propionohydrazide
  • 2-Phenoxy-propionic acid N'-(4-chloro-6-ethylamino-[1,3,5]triazin-2-yl)-hydrazide
  • MLS000564441
  • SMR000174744
  • AG-690/33091018
  • BAS 00385990

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8199 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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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