Detailed information for compound 1443632

Basic information

Technical information
  • TDR Targets ID: 1443632
  • Name: N-[1-(1-adamantyl)ethyl]-2-(4-methoxyphenyl)i midazo[2,1-b][1,3]benzothiazole-6-carboxamide
  • MW: 485.64 | Formula: C29H31N3O2S
  • H donors: 1 H acceptors: 2 LogP: 7.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)C(=O)NC(C12CC3CC(C2)CC(C1)C3)C
  • InChi: 1S/C29H31N3O2S/c1-17(29-13-18-9-19(14-29)11-20(10-18)15-29)30-27(33)22-5-8-25-26(12-22)35-28-31-24(16-32(25)28)21-3-6-23(34-2)7-4-21/h3-8,12,16-20H,9-11,13-15H2,1-2H3,(H,30,33)
  • InChiKey: TWFVNYGYVNVNPL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-(1-adamantyl)ethyl]-2-(4-methoxyphenyl)-6-imidazo[2,1-b][1,3]benzothiazolecarboxamide
  • E235-0463
  • NCGC00121803-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.1108 0.1065
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.004 0.0853 0.0808
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0079 0.2422 0.2385
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0044 0.099 0.0946
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0467 0.042
Brugia malayi hypoxia-induced factor 1 0.0151 0.5322 0.5322
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0465 0.0419
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0114 0.3817 0.324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0467 0.042
Echinococcus granulosus single minded 2 0.0036 0.0688 0.0688
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0027 0.033 0.0283
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0989 0.0945
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.1407 0.1365
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.1407 0.1407
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.1407 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.1407 0.1365
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.1407 0.1407
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0024 0.0212 0.0164
Echinococcus granulosus eukaryotic initiation factor 4A 0.0267 1 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.002 0.0048 0.0048
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0267 1 0.5
Entamoeba histolytica hypothetical protein 0.0091 0.2907 0.2246
Plasmodium falciparum eukaryotic initiation factor 4A 0.0267 1 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.1407 0.0606
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0107 0.3553 0.2952
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0267 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.1407 0.1365
Leishmania major eukaryotic initiation factor 4a, putative 0.0267 1 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0075 0.2248 0.2248
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.1407 0.1407
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0267 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0075 0.2248 0.2248
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.1407 0.1407
Leishmania major eukaryotic initiation factor 4a, putative 0.0267 1 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.5833 0.5833
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0267 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0989 0.0945
Loa Loa (eye worm) hypothetical protein 0.006 0.1661 0.1661
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0267 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0883 0.0839
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.002 0.0048 0.0048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0467 0.042
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.004 0.0853 0.0808
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0211 0.774 0.774
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1661 0.1661
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0267 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0734 0.0689
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0267 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0465 0.0419
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0467 0.042
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.1407 0.1365
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0267 1 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0267 1 1
Treponema pallidum ATP-dependent RNA helicase 0.0267 1 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0079 0.2422 0.2385
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0211 0.774 0.774
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0114 0.3817 0.3787
Schistosoma mansoni hypothetical protein 0.0041 0.0892 0.0892
Plasmodium vivax RNA helicase-1, putative 0.0267 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0883 0.0839
Loa Loa (eye worm) hypoxia-induced factor 1 0.0151 0.5322 0.5322
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.1407 0.1365
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.1407 0.0606
Loa Loa (eye worm) hypothetical protein 0.0039 0.08 0.08
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0883 0.0839
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0267 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0114 0.3817 0.3787
Loa Loa (eye worm) hypothetical protein 0.0075 0.2248 0.2248
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.1407 0.1365
Schistosoma mansoni single-minded 0.0049 0.1199 0.1199
Loa Loa (eye worm) phosphatidylinositol 3 0.0034 0.0589 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.1407 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0883 0.0839
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0267 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0883 0.0839
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0044 0.099 0.0946
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.004 0.0853 0.0808
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.002 0.0048 0.0048
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0211 0.774 0.774
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.004 0.0853 0.0853
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0267 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0114 0.3817 0.3787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0584 0.0538
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.004 0.0853 0.0853
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0091 0.2907 0.2246
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0267 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.002 0.0048 0.0048
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0892 0.0892
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0034 0.0589 0.0543
Loa Loa (eye worm) phosphatidylinositol 3 0.0188 0.683 0.683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0989 0.0945
Loa Loa (eye worm) hypothetical protein 0.0041 0.0892 0.0892
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0057 0.1512 0.1155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0584 0.0538
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0114 0.3817 0.3787
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.002 0.0048 0.0048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0465 0.0419
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.069 0.0645
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0267 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0572 0.0526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0883 0.0839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0989 0.0945
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0688 0.0688
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0097 0.3154 0.3154
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.1199 0.1199
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.2248 0.2248
Giardia lamblia GTOR 0.0054 0.1407 0.1045
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0052 0.1338 0.053
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0688 0.0688
Trypanosoma cruzi target of rapamycin kinase 3 0.0044 0.099 0.0946
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0114 0.3817 0.3787
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1661 0.1661
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0267 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.004 0.0853 0.0808
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.004 0.0853 0.0808
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0267 1 1
Brugia malayi hypothetical protein 0.0164 0.5833 0.5833
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0584 0.0538
Loa Loa (eye worm) hypothetical protein 0.0267 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0572 0.0526
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1661 0.1661
Brugia malayi PAS domain containing protein 0.0049 0.1199 0.1199
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.1407 0.1407
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0688 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0989 0.0945
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.1407 0.1365
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0114 0.3817 0.3817
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0883 0.0839

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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