Detailed information for compound 1483729

Basic information

Technical information
  • TDR Targets ID: 1483729
  • Name: T5330892
  • MW: 391.481 | Formula: C24H26FN3O
  • H donors: 2 H acceptors: 1 LogP: 4.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccccc1)NCC(c1ccccc1)N(C)C)Nc1ccc(cc1)F
  • InChi: 1S/C24H26FN3O/c1-28(2)22(18-9-5-3-6-10-18)17-26-23(19-11-7-4-8-12-19)24(29)27-21-15-13-20(25)14-16-21/h3-16,22-23,26H,17H2,1-2H3,(H,27,29)
  • InChiKey: SYENVULNBJTJKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
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
Plasmodium falciparum 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_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 Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Trichomonas vaginalis ap endonuclease, putative 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 transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni ap endonuclease 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 multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Brugia malayi exodeoxyribonuclease III family protein 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0148 0.0573
Schistosoma mansoni hypothetical protein 0.0034 0.0771 0.0771
Schistosoma mansoni transient receptor potential channel 0.0117 0.655 0.655
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2785 0.4252
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.6279 0.6279
Brugia malayi Transient-receptor-potential like protein 0.0044 0.1447 0.5197
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.655 0.655
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.2573 0.2573
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1856 0.6666
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 0.2785 0.4252
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1856 0.2834
Leishmania major hypothetical protein, conserved 0.0025 0.0148 0.0573
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2785 0.2785
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2573 0.2573
Loa Loa (eye worm) hypothetical protein 0.0025 0.0148 0.0225
Schistosoma mansoni hypothetical protein 0.0167 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2573 1
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.1447 0.1447
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.2573 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2785 0.2785
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2573 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2573 0.2573
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.2573 0.2573
Loa Loa (eye worm) hypothetical protein 0.0074 0.3529 0.5387
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.3799 0.3799
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.1447 0.1447
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.1177 0.1796
Loa Loa (eye worm) hypothetical protein 0.0117 0.655 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0771 0.2768
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0148 1
Schistosoma mansoni transient receptor potential channel 0.0078 0.3799 0.3799
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0148 1
Echinococcus multilocularis geminin 0.0167 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2785 0.2785
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.655 0.655
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2785 1
Schistosoma mansoni transient receptor potential channel 0.0078 0.3799 0.3799
Echinococcus granulosus tar DNA binding protein 0.0063 0.2785 0.2785
Brugia malayi TAR-binding protein 0.0063 0.2785 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0148 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0167 1 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.6279 0.6279
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.2573 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0148 1
Brugia malayi hypothetical protein 0.0025 0.0148 0.053
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.3799 0.3799
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.3799 0.3799
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2785 0.2785
Loa Loa (eye worm) hypothetical protein 0.0049 0.1856 0.2834
Loa Loa (eye worm) hypothetical protein 0.0044 0.1447 0.221
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2785 0.2785
Loa Loa (eye worm) hypothetical protein 0.0034 0.0771 0.1177
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0148 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0148 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2785 0.4252
Brugia malayi RNA binding protein 0.0063 0.2785 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2785 0.2785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.2573 1
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.655 0.655
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2573 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.3799 0.3799
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1856 0.6666

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0.596 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that activate transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2237, AID2259] ChEMBL. No reference
Potency (functional) 0.0017 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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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