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

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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