Detailed information for compound 1329196

Basic information

Technical information
  • TDR Targets ID: 1329196
  • Name: N-(furan-2-ylmethyl)-3-[6-(4-methylpiperidin- 1-yl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]pr opanamide
  • MW: 368.433 | Formula: C19H24N6O2
  • H donors: 1 H acceptors: 4 LogP: 1.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)c1ccc2n(n1)c(CCC(=O)NCc1ccco1)nn2
  • InChi: 1S/C19H24N6O2/c1-14-8-10-24(11-9-14)18-5-4-16-21-22-17(25(16)23-18)6-7-19(26)20-13-15-3-2-12-27-15/h2-5,12,14H,6-11,13H2,1H3,(H,20,26)
  • InChiKey: UERVTDDEWDGDNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-furylmethyl)-3-[6-(4-methyl-1-piperidyl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]propanamide
  • N-(2-furylmethyl)-3-[6-(4-methyl-1-piperidinyl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]propanamide
  • N-(2-furylmethyl)-3-[6-(4-methyl-1-piperidyl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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 japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii exonuclease III APE 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
Cryptosporidium parvum conserved hypothetical 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum apurinic/apyrimidinic endonuclease-redox 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
Schistosoma mansoni ap endonuclease 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva hypothetical 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
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
Loa Loa (eye worm) latrophilin receptor protein 2 0.0096 0.167 0.167
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5973 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0303 0.0303
Brugia malayi Calcitonin receptor-like protein seb-1 0.0305 0.6392 0.6392
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0096 0.167 0.167
Schistosoma mansoni tar DNA-binding protein 0.0464 1 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0303 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0303 0.0303
Brugia malayi Latrophilin receptor protein 2 0.0096 0.167 0.167
Schistosoma mansoni tar DNA-binding protein 0.0464 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0303 0.0303
Echinococcus granulosus tar DNA binding protein 0.0464 1 1
Loa Loa (eye worm) TAR-binding protein 0.0464 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0303 0.0303
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Brugia malayi TAR-binding protein 0.0464 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0305 0.6392 0.6392
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0096 0.167 0.167
Brugia malayi RNA recognition motif domain containing protein 0.0464 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0303 0.0303
Echinococcus multilocularis GPCR, family 2 0.0096 0.167 0.167
Schistosoma mansoni tar DNA-binding protein 0.0464 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0234 0.4784 0.4784
Schistosoma mansoni hypothetical protein 0.0208 0.4206 0.4206
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Brugia malayi Pre-SET motif family protein 0.0036 0.0303 0.0303
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.4784 0.4784
Schistosoma mansoni tar DNA-binding protein 0.0464 1 1
Loa Loa (eye worm) RNA binding protein 0.0464 1 1
Schistosoma mansoni hypothetical protein 0.0096 0.167 0.167
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.5185 0.5185
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0464 1 1
Schistosoma mansoni hypothetical protein 0.0096 0.167 0.167
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0305 0.6392 0.6392
Schistosoma mansoni hypothetical protein 0.0096 0.167 0.167
Loa Loa (eye worm) hypothetical protein 0.0305 0.6392 0.6392
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0303 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0303 0.0303
Brugia malayi MH2 domain containing protein 0.0234 0.4784 0.4784
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0096 0.167 0.167
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0096 0.167 0.167
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0303 0.0303
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0272 0.0272
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5185 0.5185
Brugia malayi latrophilin 2 splice variant baaae 0.0208 0.4206 0.4206
Loa Loa (eye worm) hypothetical protein 0.0208 0.4206 0.4206
Schistosoma mansoni hypothetical protein 0.0096 0.167 0.167
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0096 0.167 0.167
Echinococcus multilocularis tar DNA binding protein 0.0464 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.167 0.167
Loa Loa (eye worm) hypothetical protein 0.0036 0.0303 0.0303
Onchocerca volvulus 0.0286 0.5973 1
Echinococcus granulosus GPCR family 2 0.0096 0.167 0.167
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0464 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 9.4662 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 56.2341 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 281.8383 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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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