Detailed information for compound 1487663

Basic information

Technical information
  • TDR Targets ID: 1487663
  • Name: N-(2,6-difluorophenyl)-1,3,5-triazine-2,4-dia mine
  • MW: 223.182 | Formula: C9H7F2N5
  • H donors: 2 H acceptors: 3 LogP: 1.7 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncnc(n1)Nc1c(F)cccc1F
  • InChi: 1S/C9H7F2N5/c10-5-2-1-3-6(11)7(5)15-9-14-4-13-8(12)16-9/h1-4H,(H3,12,13,14,15,16)
  • InChiKey: IQGUHUQTBOVRIR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-amino-s-triazin-2-yl)-(2,6-difluorophenyl)amine
  • Oprea1_343457
  • MLS000861571
  • N2-(2,6-difluorophenyl)-1,3,5-triazine-2,4-diamine
  • SMR000460355
  • ZINC00089333

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.0886 0.3125
Loa Loa (eye worm) endoprotease bli-4 0.0496 0.4895 1
Brugia malayi celfurPC protein 0.04 0.3879 0.7863
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0536 0.1027
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0183 0.0647
Schistosoma mansoni furin-1 (S08 family) 0.0216 0.193 0.3196
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0496 0.4895 1
Echinococcus granulosus furin 0.0496 0.4895 1
Trichomonas vaginalis hypothetical protein 0.0096 0.0662 0.2334
Brugia malayi endoprotease bli-4 precursor 0.0496 0.4895 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0536 0.1892
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0146 0.0513
Schistosoma mansoni hypothetical protein 0.0096 0.0662 0.0288
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0302 0.2836 0.5277
Brugia malayi proprotein convertase 2 0.0312 0.2945 0.5894
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0302 0.2836 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0302 0.2836 0.243
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0146 0.0513
Loa Loa (eye worm) hypothetical protein 0.0496 0.4895 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Loa Loa (eye worm) proprotein convertase 2 0.0117 0.0886 0.1747
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.0886 0.3125
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.0886 0.3125
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0183 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Echinococcus granulosus Furin 1 0.0117 0.0886 0.0803
Echinococcus multilocularis 0.04 0.3879 0.3533
Brugia malayi Heterochromatin protein 1 0.0084 0.0536 0.0823
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Echinococcus multilocularis Furin 1 0.0117 0.0886 0.037
Echinococcus granulosus neuroendocrine convertase 2 0.0312 0.2945 0.5526
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0117 0.0886 0.0803
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0302 0.2836 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0146 0.7399
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0536 0.1892
Loa Loa (eye worm) hypothetical protein 0.0047 0.0146 0.0222
Giardia lamblia High cysteine membrane protein Group 2 0.0184 0.1597 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.1705 0.3433
Echinococcus multilocularis neuroendocrine convertase 2 0.0312 0.2945 0.2545
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.0886 0.3125
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0183 0.0647
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0096 0.0662 0.2334
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.0886 0.3125
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0117 0.0886 0.3125
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0096 0.0662 0.2334
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0096 0.0662 0.2334
Brugia malayi neuroendocrine convertase 1 precursor 0.0312 0.2945 0.5894
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0662 0.2334

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 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) 9.1962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) 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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