Detailed information for compound 1571596

Basic information

Technical information
  • TDR Targets ID: 1571596
  • Name: N-[[3-[(3-methoxyphenyl)methyl]imidazo[5,4-b] pyridin-2-yl]methyl]-3-phenylpropanamide
  • MW: 400.473 | Formula: C24H24N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Cn1c(CNC(=O)CCc2ccccc2)nc2c1nccc2
  • InChi: 1S/C24H24N4O2/c1-30-20-10-5-9-19(15-20)17-28-22(27-21-11-6-14-25-24(21)28)16-26-23(29)13-12-18-7-3-2-4-8-18/h2-11,14-15H,12-13,16-17H2,1H3,(H,26,29)
  • InChiKey: FCHKHUXMTJGBJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[3-[(3-methoxyphenyl)methyl]imidazo[5,4-b]pyridin-2-yl]methyl]-3-phenyl-propanamide
  • N-[[3-[(3-methoxyphenyl)methyl]-2-imidazo[5,4-b]pyridinyl]methyl]-3-phenylpropanamide
  • N-[[3-(3-methoxybenzyl)imidazo[5,4-b]pyridin-2-yl]methyl]-3-phenyl-propionamide
  • G831-0252
  • NCGC00134960-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) hypothetical protein 0.0326 0.4499 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0065 0.0439 0.0439
Onchocerca volvulus 0.0056 0.0294 0.0653
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0056 0.0294 0.0653
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0015 0.0015
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0121 0.1304 0.2899
Loa Loa (eye worm) GABA receptor subunit 0.0065 0.0439 0.0976
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0121 0.1304 0.2899
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0121 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0056 0.0294 0.0653
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0189 0.237 0.237
Loa Loa (eye worm) ACC-1 protein 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Onchocerca volvulus 0.0189 0.237 0.5268
Echinococcus multilocularis microtubule associated protein 2 0.068 1 1
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0056 0.0294 0.0653
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Brugia malayi Cation transporter family protein 0.0189 0.237 0.5268
Echinococcus granulosus nAChR subunit 0.0121 0.1304 0.1304
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0056 0.0294 0.0653
Onchocerca volvulus 0.0189 0.237 0.5268
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Echinococcus granulosus glycine receptor subunit alpha 1 0.0121 0.1304 0.1304
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0065 0.0439 0.0976
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0121 0.1304 0.2899
Echinococcus multilocularis geminin 0.0173 0.2117 0.2117
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0015 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0065 0.0439 0.0439
Schistosoma mansoni nAChR subunit 0.0121 0.1304 0.1304
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0015 0.5
Mycobacterium leprae conserved hypothetical protein 0.0037 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0121 0.1304 0.2899
Brugia malayi excitatory GABA receptor EXP-1A 0.0121 0.1304 0.2899
Brugia malayi hypothetical protein 0.0056 0.0294 0.0653
Echinococcus multilocularis nAChR subunit 0.0065 0.0439 0.0439
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0121 0.1304 0.2899
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) hypothetical protein 0.0065 0.0439 0.0976
Schistosoma mansoni nAChR subunit 0.0121 0.1304 0.1304
Echinococcus granulosus glycine receptor subunit alpha 1 0.0121 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0326 0.4499 0.4499
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0056 0.0294 0.0653
Schistosoma mansoni microtubule-associated protein tau 0.068 1 1
Onchocerca volvulus Putative nachr subunit 0.0326 0.4499 1
Brugia malayi hypothetical protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) hypothetical protein 0.0065 0.0439 0.0976
Schistosoma mansoni nAChR subunit 0.0121 0.1304 0.1304
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0326 0.4499 0.4499
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0065 0.0439 0.0976
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0056 0.0294 0.0294
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0285 0.3852 0.3852
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Brugia malayi Cation transporter family protein 0.0121 0.1304 0.2899
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0326 0.4499 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0121 0.1304 0.1304
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0121 0.1304 0.1304
Loa Loa (eye worm) LGC-31 protein 0.0121 0.1304 0.2899
Schistosoma mansoni nAChR subunit 0.0121 0.1304 0.1304
Schistosoma mansoni ap endonuclease 0.0038 0.0015 0.0015
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0121 0.1304 0.2899
Schistosoma mansoni acetylcholine receptor-related 0.0056 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0134 0.1505 0.3345
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0121 0.1304 0.2899
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0056 0.0294 0.0294
Echinococcus granulosus glycine receptor subunit beta 0.0121 0.1304 0.1304
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0121 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.0189 0.237 0.5268
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0121 0.1304 0.1304
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0326 0.4499 0.4499
Onchocerca volvulus 0.0189 0.237 0.5268
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0056 0.0294 0.0653
Echinococcus multilocularis glycine receptor subunit beta 0.0121 0.1304 0.1304
Onchocerca volvulus 0.0056 0.0294 0.0653
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0326 0.4499 0.4499
Echinococcus granulosus geminin 0.0173 0.2117 0.2117
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.3078 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0015 0.0034
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0189 0.237 0.237
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Mycobacterium leprae Probable lipase LipE 0.0037 0 0.5
Onchocerca volvulus 0.0121 0.1304 0.2899
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0015 0.5
Loa Loa (eye worm) hypothetical protein 0.0065 0.0439 0.0976
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0065 0.0439 0.0439
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0121 0.1304 0.2899
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0065 0.0439 0.0976
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0015 1
Loa Loa (eye worm) SET domain-containing protein 0.0285 0.3852 0.8562
Loa Loa (eye worm) hypothetical protein 0.0065 0.0439 0.0976
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0015 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0121 0.1304 0.1304
Schistosoma mansoni nAChR subunit 0.0121 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0015 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0439 0.0976
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0065 0.0439 0.0976
Brugia malayi hypothetical protein 0.0056 0.0294 0.0653
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0121 0.1304 0.1304
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0056 0.0294 0.0294
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0326 0.4499 0.4499
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0056 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0065 0.0439 0.0976
Echinococcus granulosus glycine receptor subunit alpha 1 0.0121 0.1304 0.1304
Entamoeba histolytica hypothetical protein 0.0065 0.0439 1
Brugia malayi hypothetical protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Schistosoma mansoni acetylcholine receptor subunit beta 0.0056 0.0294 0.0294
Schistosoma mansoni hypothetical protein 0.0173 0.2117 0.2117
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Onchocerca volvulus 0.0121 0.1304 0.2899
Toxoplasma gondii exonuclease III APE 0.0038 0.0015 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0056 0.0294 0.0294
Onchocerca volvulus 0.0065 0.0439 0.0976
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0015 0.0015
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0121 0.1304 0.2899
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0121 0.1304 0.2899
Schistosoma mansoni neurotransmitter gated ion channel 0.0056 0.0294 0.0294
Schistosoma mansoni ap endonuclease 0.0038 0.0015 0.0015
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0015 1
Onchocerca volvulus 0.0065 0.0439 0.0976
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0121 0.1304 0.1304
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0121 0.1304 0.1304
Echinococcus granulosus nAChR subunit 0.0065 0.0439 0.0439
Loa Loa (eye worm) hypothetical protein 0.0189 0.237 0.5268
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0285 0.3852 0.3852
Onchocerca volvulus 0.0121 0.1304 0.2899
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0326 0.4499 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0121 0.1304 0.2899
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0121 0.1304 0.2899
Echinococcus multilocularis nAChR subunit 0.0121 0.1304 0.1304
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0015 0.0034
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0121 0.1304 0.1304
Schistosoma mansoni nAChR subunit 0.0056 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0121 0.1304 0.1304
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0015 1
Schistosoma mansoni enhancer of zeste ezh 0.0285 0.3852 0.3852
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0065 0.0439 0.0976
Loa Loa (eye worm) acetylcholine receptor protein 0.0056 0.0294 0.0653
Schistosoma mansoni hypothetical protein 0.0173 0.2117 0.2117
Schistosoma mansoni nAChR subunit 0.0121 0.1304 0.1304
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0015 0.005
Brugia malayi Cation transporter family protein 0.0121 0.1304 0.2899
Echinococcus granulosus glycine receptor subunit beta 0.0121 0.1304 0.1304
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0015 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) hypothetical protein 0.0065 0.0439 0.0976
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0056 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0015 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0121 0.1304 0.1304
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0121 0.1304 0.2899
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0121 0.1304 0.1304
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0015 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0121 0.1304 0.2899
Onchocerca volvulus 0.0056 0.0294 0.0653
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0056 0.0294 0.0653
Echinococcus multilocularis glycine receptor subunit beta 0.0121 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0121 0.1304 0.2899
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0121 0.1304 0.2899
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0326 0.4499 0.4499
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0121 0.1304 0.1304
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0121 0.1304 0.1304
Brugia malayi SET domain containing protein 0.0285 0.3852 0.8562
Schistosoma mansoni nAChR subunit 0.0056 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0015 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0121 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.0056 0.0294 0.0653
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0121 0.1304 0.2899
Schistosoma mansoni nAChR subunit 0.0121 0.1304 0.1304
Brugia malayi hypothetical protein 0.0056 0.0294 0.0653
Loa Loa (eye worm) ACC-1 protein 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899
Loa Loa (eye worm) hypothetical protein 0.0121 0.1304 0.2899

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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