Detailed information for compound 102694

Basic information

Technical information
  • TDR Targets ID: 102694
  • Name: 2-[7-methoxy-5-methyl-6-[(E)-prop-1-enyl]imid azo[1,2-a]pyrimidin-2-yl]-5-methyl-1,3,4-oxad iazole
  • MW: 285.301 | Formula: C14H15N5O2
  • H donors: 0 H acceptors: 4 LogP: 2.75 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C=C/c1c(OC)nc2n(c1C)cc(n2)c1nnc(o1)C
  • InChi: 1S/C14H15N5O2/c1-5-6-10-8(2)19-7-11(13-18-17-9(3)21-13)15-14(19)16-12(10)20-4/h5-7H,1-4H3/b6-5+
  • InChiKey: CWYKBSIMSGJOGU-AATRIKPKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[7-methoxy-5-methyl-6-[(E)-prop-1-enyl]-2-imidazo[1,2-a]pyrimidinyl]-5-methyl-1,3,4-oxadiazole
  • 7-methoxy-5-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrimidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus GABA-A receptor; anion channel Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni Cys-loop ligand gated ion channel subunit GABA-A receptor; anion channel   467 aa 479 aa 29.2 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative GABA-A receptor; anion channel   467 aa 384 aa 19.5 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 454 aa 29.5 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 441 aa 33.8 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 446 aa 29.1 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 446 aa 28.0 %
Onchocerca volvulus Eukaryotic initiation factor 4A-III homolog GABA-A receptor; anion channel   467 aa 453 aa 26.9 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 434 aa 26.7 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog GABA-A receptor; anion channel   467 aa 418 aa 19.6 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 461 aa 27.8 %
Brugia malayi Cation transporter family protein GABA-A receptor; anion channel   467 aa 453 aa 28.5 %
Onchocerca volvulus Gamma-aminobutyric acid receptor subunit beta homolog GABA-A receptor; anion channel   467 aa 433 aa 34.6 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 454 aa 30.4 %
Echinococcus granulosus glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 439 aa 29.6 %
Echinococcus multilocularis glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 478 aa 28.7 %
Echinococcus multilocularis glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 447 aa 25.7 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 494 aa 25.5 %
Echinococcus granulosus glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit GABA-A receptor; anion channel   467 aa 379 aa 19.3 %
Onchocerca volvulus Large subunit GTPase 1 homolog GABA-A receptor; anion channel   467 aa 496 aa 26.0 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 468 aa 28.6 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 375 aa 21.9 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 435 aa 29.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.1566 0.1566
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.3772 0.3772
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0023 0.3772 0.3772
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.1566 0.5
Brugia malayi Cation transporter family protein 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0012 0.023 0.023
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0023 0.3772 0.3772
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0023 0.3772 0.3772
Loa Loa (eye worm) GABA receptor subunit 0.0012 0.023 0.061
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0023 0.3772 0.3772
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.1566 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.3772 0.3772
Onchocerca volvulus 0.0023 0.3772 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.1566 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.1566 0.1566
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0023 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0023 0.3772 0.3772
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.1566 0.1566
Entamoeba histolytica hypothetical protein 0.0041 1 1
Loa Loa (eye worm) ACC-1 protein 0.0023 0.3772 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0023 0.3772 0.3772
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0023 0.3772 0.3772
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.3772 0.3772
Echinococcus multilocularis nAChR subunit 0.0012 0.023 0.023
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.3772 0.3772
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0023 0.3772 0.3772
Schistosoma mansoni transcription factor LCR-F1 0.0041 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.1566 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.023 0.061
Loa Loa (eye worm) hypothetical protein 0.0012 0.023 0.061
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 1 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.1566 0.1566
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.3772 0.3772
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0023 0.3772 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.1566 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Echinococcus granulosus nAChR subunit 0.0012 0.023 0.023
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0012 0.023 0.023
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.3772 0.3772
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0012 0.023 0.061
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0023 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0023 0.3772 0.3772
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0023 0.3772 0.3772
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0023 0.3772 0.3772
Loa Loa (eye worm) LGC-31 protein 0.0023 0.3772 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0023 0.3772 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.1566 0.5
Onchocerca volvulus 0.0023 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0023 0.3772 0.3772
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0012 0.023 0.023
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0012 0.023 0.061
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.3772 0.3772
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.3772 0.3772
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0012 0.023 0.023
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0023 0.3772 0.3772
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0023 0.3772 0.3772
Schistosoma mansoni hypothetical protein 0.0041 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.1566 0.1566
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.3772 0.3772
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0023 0.3772 0.3772
Onchocerca volvulus 0.0012 0.023 0.061
Echinococcus multilocularis nAChR subunit 0.0023 0.3772 0.3772
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.3772 0.3772
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 1 1
Entamoeba histolytica hypothetical protein 0.0041 1 1
Schistosoma mansoni nAChR subunit 0.0023 0.3772 0.3772
Schistosoma mansoni nAChR subunit 0.0023 0.3772 0.3772
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.3772 0.3772
Onchocerca volvulus 0.0023 0.3772 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0023 0.3772 0.3772
Brugia malayi excitatory GABA receptor EXP-1A 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.023 0.061
Schistosoma mansoni nAChR subunit 0.0023 0.3772 0.3772
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0023 0.3772 0.3772
Onchocerca volvulus 0.0023 0.3772 1
Schistosoma mansoni nAChR subunit 0.0023 0.3772 0.3772
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.3772 0.3772
Schistosoma mansoni nAChR subunit 0.0023 0.3772 0.3772
Onchocerca volvulus 0.0012 0.023 0.061
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.1566 0.1566
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.3772 0.3772
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0023 0.3772 0.3772
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.3772 0.3772
Onchocerca volvulus 0.0023 0.3772 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0023 0.3772 0.3772
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.1566 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.023 0.061
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.023 0.061
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.1566 0.415
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Brugia malayi Cation transporter family protein 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0012 0.023 0.061
Entamoeba histolytica hypothetical protein 0.0041 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.3772 0.3772
Brugia malayi isocitrate dehydrogenase 0.0016 0.1566 0.1566
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.3772 0.3772
Onchocerca volvulus 0.0023 0.3772 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0012 0.023 0.023
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.1566 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.023 0.061
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0023 0.3772 0.3772
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.1566 0.5
Onchocerca volvulus Putative nachr subunit 0.0023 0.3772 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.1566 0.1566
Loa Loa (eye worm) ACC-1 protein 0.0023 0.3772 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.3772 0.3772
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0012 0.023 0.023
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.3772 0.3772
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0023 0.3772 1
Brugia malayi Cation transporter family protein 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Schistosoma mansoni nAChR subunit 0.0023 0.3772 0.3772
Echinococcus granulosus nAChR subunit 0.0023 0.3772 0.3772
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.1566 0.1566
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0023 0.3772 0.3772
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0023 0.3772 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0012 0.023 0.023
Schistosoma mansoni nAChR subunit 0.0023 0.3772 0.3772
Entamoeba histolytica hypothetical protein 0.0041 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0023 0.3772 0.3772
Loa Loa (eye worm) hypothetical protein 0.0023 0.3772 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.1566 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.3772 0.3772
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.3772 0.3772

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Binding affinity towards benzodiazepine receptor by the displacement of [3H]-flunitrazepam from rat brain preparations. ChEMBL. 1648620
IC50 (binding) > 10000 nM Binding affinity towards benzodiazepine receptor by the displacement of [3H]-flunitrazepam from rat brain preparations. ChEMBL. 1648620
MED (functional) > 50 mg kg-1 Minimum effective dose on oral administration ChEMBL. 1648620

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

1 literature reference was collected for this gene.

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