Detailed information for compound 105200

Basic information

Technical information
  • TDR Targets ID: 105200
  • Name: 2-(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a] quinazolin-2-yl)-5-methyl-1,3,4-oxadiazole
  • MW: 285.301 | Formula: C14H15N5O2
  • H donors: 0 H acceptors: 4 LogP: 2.57 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nc2nc(cn2c2c1CCCC2)c1nnc(o1)C
  • InChi: 1S/C14H15N5O2/c1-8-17-18-13(21-8)10-7-19-11-6-4-3-5-9(11)12(20-2)16-14(19)15-10/h7H,3-6H2,1-2H3
  • InChiKey: SXBDLSJTYXJLHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydroimidazo[1,2-a]quinazoline

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
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 468 aa 28.6 %
Onchocerca volvulus Gamma-aminobutyric acid receptor subunit beta homolog GABA-A receptor; anion channel   467 aa 433 aa 34.6 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative GABA-A receptor; anion channel   467 aa 384 aa 19.5 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog GABA-A receptor; anion channel   467 aa 418 aa 19.6 %
Echinococcus granulosus glycine receptor subunit alpha 1 GABA-A receptor; anion channel   467 aa 430 aa 32.3 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 375 aa 21.9 %
Schistosoma mansoni Cys-loop ligand gated ion channel subunit GABA-A receptor; anion channel   467 aa 479 aa 29.2 %
Onchocerca volvulus Eukaryotic initiation factor 4A-III homolog GABA-A receptor; anion channel   467 aa 453 aa 26.9 %
Echinococcus multilocularis glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 478 aa 28.7 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 494 aa 25.5 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit GABA-A receptor; anion channel   467 aa 379 aa 19.3 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 461 aa 27.8 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; anion channel   467 aa 454 aa 29.5 %
Brugia malayi Cation transporter family protein GABA-A receptor; anion channel   467 aa 453 aa 28.5 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 435 aa 29.7 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 446 aa 28.0 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 446 aa 29.1 %
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 447 aa 25.7 %
Echinococcus granulosus glycine receptor subunit beta GABA-A receptor; anion channel   467 aa 439 aa 29.6 %
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 454 aa 30.4 %
Onchocerca volvulus GABA-A receptor; anion channel   467 aa 434 aa 26.7 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; anion channel   467 aa 441 aa 33.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0023 0 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0 0.5
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0023 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0023 0 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0023 0 0.5
Brugia malayi Cation transporter family protein 0.0023 0 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0 0.5
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0023 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0 0.5
Schistosoma mansoni nAChR subunit 0.0023 0 0.5
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0 0.5
Schistosoma mansoni nAChR subunit 0.0023 0 0.5
Toxoplasma gondii hypothetical protein 0.0168 1 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0 0.5
Schistosoma mansoni nAChR subunit 0.0023 0 0.5
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0023 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0023 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0023 0 0.5
Schistosoma mansoni nAChR subunit 0.0023 0 0.5
Schistosoma mansoni nAChR subunit 0.0023 0 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0 0.5
Brugia malayi Cation transporter family protein 0.0023 0 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0023 0 0.5
Echinococcus granulosus nAChR subunit 0.0023 0 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0 0.5
Brugia malayi excitatory GABA receptor EXP-1A 0.0023 0 0.5
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0023 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0 0.5
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0023 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0 0.5
Brugia malayi Cation transporter family protein 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0023 0 0.5
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0023 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0023 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0023 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Onchocerca volvulus Putative nachr subunit 0.0023 0 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0023 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0 0.5
Schistosoma mansoni nAChR subunit 0.0023 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0023 0 0.5
Schistosoma mansoni nAChR subunit 0.0023 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0023 0 0.5
Echinococcus granulosus glycine receptor subunit beta 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0023 0 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0 0.5
Echinococcus multilocularis nAChR subunit 0.0023 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0023 0 0.5
Echinococcus granulosus glycine receptor subunit beta 0.0023 0 0.5
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0023 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0168 1 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0023 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3200 nM Binding affinity towards benzodiazepine receptor by the displacement of [3H]-flunitrazepam from rat brain preparations. ChEMBL. 1648620
IC50 (binding) = 3200 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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