Detailed information for compound 1272926

Basic information

Technical information
  • TDR Targets ID: 1272926
  • Name: 4-(3-fluorophenyl)-4,5,6,7-tetrahydro-1H-imid azo[4,5-c]pyridine
  • MW: 217.242 | Formula: C12H12FN3
  • H donors: 2 H acceptors: 1 LogP: 1.33 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C1NCCc2c1nc[nH]2
  • InChi: 1S/C12H12FN3/c13-9-3-1-2-8(6-9)11-12-10(4-5-14-11)15-7-16-12/h1-3,6-7,11,14H,4-5H2,(H,15,16)
  • InChiKey: BEHWECGZOPAKRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000696675
  • SMR000237126

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 muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 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
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
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni transient receptor potential channel 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
Brugia malayi exodeoxyribonuclease III family protein 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
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Plasmodium knowlesi 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Schistosoma mansoni 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Theileria parva hypothetical protein 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox 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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni ap endonuclease 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 infantum apurinic/apyrimidinic endonuclease-redox protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium yoelii putative AP endonuclease-related 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
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
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
Trichomonas vaginalis spcc417.12 protein, putative 0.0277 0.1573 0.967
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Brugia malayi Carboxylesterase family protein 0.0277 0.1573 0.1573
Brugia malayi Pre-SET motif family protein 0.0036 0.0082 0.0082
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.0584 0.0584
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0129 0.0129
Echinococcus multilocularis para nitrobenzyl esterase 0.0277 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0082
Echinococcus granulosus neuroligin 0.0277 0.1573 0.1573
Onchocerca volvulus 0.0277 0.1573 0.9653
Echinococcus granulosus carboxylesterase 5A 0.1642 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1573 0.1573
Schistosoma mansoni transient receptor potential channel 0.0078 0.0339 0.0339
Loa Loa (eye worm) carboxylesterase 0.1642 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1573 0.1573
Brugia malayi Pre-SET motif family protein 0.0251 0.1412 0.1412
Loa Loa (eye worm) carboxylesterase 0.0277 0.1573 0.1573
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0277 0.1573 0.1573
Brugia malayi Carboxylesterase family protein 0.0277 0.1573 0.1573
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0082 0.0082
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.1642 1 1
Schistosoma mansoni transient receptor potential channel 0.0078 0.0339 0.0339
Schistosoma mansoni neuroligin 3 (S09 family) 0.0277 0.1573 0.1573
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1627 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0974 0.0974
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1642 1 1
Echinococcus multilocularis neuroligin 0.0277 0.1573 0.1573
Onchocerca volvulus 0.0286 0.1627 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0277 0.1573 0.1573
Echinococcus granulosus para nitrobenzyl esterase 0.0277 0.1573 0.1573
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0082 0.0082
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0339 0.0339
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.056 0.056
Echinococcus multilocularis carboxylesterase 5A 0.1642 1 1
Loa Loa (eye worm) hypothetical protein 0.1642 1 1
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.056 0.056
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0339 0.0339
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1412 0.1412
Loa Loa (eye worm) carboxylesterase 0.0277 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.018 0.0974 0.0974
Echinococcus granulosus BC026374 protein S09 family 0.0277 0.1573 0.1573
Onchocerca volvulus 0.0277 0.1573 0.9653
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0129 0.0129
Brugia malayi Carboxylesterase family protein 0.1642 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0277 0.1573 0.967
Loa Loa (eye worm) hypothetical protein 0.0277 0.1573 0.1573
Mycobacterium ulcerans carboxylesterase, LipT 0.0277 0.1573 1
Schistosoma mansoni acetylcholinesterase 0.0277 0.1573 0.1573
Echinococcus granulosus acetylcholinesterase 0.1642 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0277 0.1573 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0277 0.1573 1
Brugia malayi Muscleblind-like protein 0.018 0.0974 0.0974
Loa Loa (eye worm) hypothetical protein 0.004 0.0105 0.0105
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.018 0.0974 0.0974
Brugia malayi hypothetical protein 0.0277 0.1573 0.1573
Brugia malayi Carboxylesterase family protein 0.0277 0.1573 0.1573
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0277 0.1573 0.1573
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0074 0.0074
Echinococcus multilocularis acetylcholinesterase 0.1642 1 1
Echinococcus granulosus muscleblind protein 0.018 0.0974 0.0974
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0339 0.0339
Schistosoma mansoni transient receptor potential channel 0.0117 0.0584 0.0584
Schistosoma mansoni BC026374 protein (S09 family) 0.0277 0.1573 0.1573
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.0584 0.0584
Onchocerca volvulus 0.0277 0.1573 0.9653
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0277 0.1573 0.1573
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.0584 0.0584
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0339 0.0339
Plasmodium vivax SET domain protein, putative 0.0036 0.0082 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0074 0.0314 0.0314
Onchocerca volvulus 0.0277 0.1573 0.9653
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0082 1
Echinococcus multilocularis acetylcholinesterase 0.1642 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0277 0.1573 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1642 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1573 0.1573
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0129 0.0129
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0277 0.1573 0.1573
Brugia malayi Carboxylesterase family protein 0.0277 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.0277 0.1573 0.1573
Echinococcus multilocularis muscleblind protein 0.018 0.0974 0.0974
Schistosoma mansoni gliotactin 0.0277 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.0277 0.1573 0.1573
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0082 0.0082
Echinococcus granulosus acetylcholinesterase 0.1642 1 1
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0277 0.1573 0.1573
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0277 0.1573 0.1573
Onchocerca volvulus 0.0277 0.1573 0.9653
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0117 0.0584 0.0584

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 3.7573 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) 0.02 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 0.0355 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2512 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) 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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