Detailed information for compound 1290626

Basic information

Technical information
  • TDR Targets ID: 1290626
  • Name: 1-propan-2-yl-12-trimethylsilyl-11H-quinolino [2,3-a]indolizin-9-one
  • MW: 348.514 | Formula: C21H24N2OSi
  • H donors: 0 H acceptors: 2 LogP: 4.83 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1cccc2c1c(c1c(n2)c2n(C1)c(=O)ccc2)[Si](C)(C)C)C
  • InChi: 1S/C21H24N2OSi/c1-13(2)14-8-6-9-16-19(14)21(25(3,4)5)15-12-23-17(20(15)22-16)10-7-11-18(23)24/h6-11,13H,12H2,1-5H3
  • InChiKey: NGSSXOWPPRNPPF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-isopropyl-12-trimethylsilyl-11H-quinolino[2,3-a]indolizin-9-one
  • UPCMLD00CB4-96-2
  • SDCCGMLS-0091422.P001
  • CMLD4_000084
  • NCGC00074359-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.1474 0.1626
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0109 0.1474 0.1474
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.176 0.1849
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0373 0.6758 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.1474 0.1383
Schistosoma mansoni amine GPCR 0.0109 0.1474 0.1626
Brugia malayi ORL1-like opioid receptor 0.0109 0.1474 0.1474
Echinococcus multilocularis g protein coupled receptor 0.0109 0.1474 0.1383
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni lozenge 0.0067 0.0626 0.0281
Brugia malayi follicle stimulating hormone receptor 0.0387 0.7041 0.7041
Onchocerca volvulus 0.0109 0.1474 0.1074
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.1474 0.1626
Onchocerca volvulus AMP deaminase 2 homolog 0.0122 0.1717 0.1328
Echinococcus multilocularis fmrfamide receptor 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis serotonin receptor 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0109 0.1474 0.1626
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0109 0.1474 0.1474
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0109 0.1474 0.1474
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.1474 0.1626
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni amine GPCR 0.0109 0.1474 0.1626
Echinococcus multilocularis neuropeptide Y receptor 0.0109 0.1474 0.1383
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0373 0.6758 1
Onchocerca volvulus 0.0122 0.1717 0.1328
Brugia malayi AKH receptor 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0252 0.4323 0.4323
Brugia malayi Dopamine receptor 0.0109 0.1474 0.1474
Echinococcus multilocularis sex peptide receptor 0.0109 0.1474 0.1383
Trypanosoma cruzi AMP deaminase, putative 0.0122 0.1717 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0109 0.1474 0.1383
Brugia malayi Dopamine receptor protein 1 0.0109 0.1474 0.1474
Echinococcus multilocularis fmrfamide receptor 0.0109 0.1474 0.1383
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0122 0.1717 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.176 0.2078
Onchocerca volvulus Neuropeptide F receptor homolog 0.0109 0.1474 0.1074
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0082 0.0934 0.0934
Schistosoma mansoni neuropeptide receptor 0.0109 0.1474 0.1626
Brugia malayi G-protein coupled receptor 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0109 0.1474 0.1626
Echinococcus granulosus adenosine deaminase 0.0373 0.6758 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.0934 0.077
Loa Loa (eye worm) G-protein coupled receptor 0.0109 0.1474 0.1474
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.176 0.2078
Loa Loa (eye worm) G-protein coupled receptor 0.0109 0.1474 0.1474
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0109 0.1474 0.1383
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0109 0.1474 0.1626
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.1474 0.1626
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.1474 0.1626
Schistosoma mansoni hypothetical protein 0.0109 0.1474 0.1626
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0109 0.1474 0.1074
Onchocerca volvulus 0.0109 0.1474 0.1074
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0373 0.6758 0.5
Trypanosoma brucei AMP deaminase, putative 0.0122 0.1717 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis serotonin receptor 0.0109 0.1474 0.1383
Trypanosoma cruzi AMP deaminase, putative 0.0122 0.1717 0.5
Brugia malayi neuropeptide F receptor 0.0109 0.1474 0.1474
Onchocerca volvulus 0.0109 0.1474 0.1074
Echinococcus granulosus AMP deaminase 2 0.0122 0.1717 0.0459
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.1474 0.1383
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0109 0.1474 0.1474
Schistosoma mansoni neuropeptide F-like receptor 0.0109 0.1474 0.1626
Schistosoma mansoni biogenic amine (5HT) receptor 0.0109 0.1474 0.1626
Trichomonas vaginalis adenosine deaminase, putative 0.0373 0.6758 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0109 0.1474 0.1626
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0109 0.1474 0.1626
Schistosoma mansoni opsin-like receptor 0.0109 0.1474 0.1626
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0109 0.1474 0.1626
Loa Loa (eye worm) neuropeptide F receptor 0.0109 0.1474 0.1474
Trichomonas vaginalis adenosine deaminase, putative 0.0373 0.6758 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0252 0.4323 0.4323
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0109 0.1474 0.1474
Loa Loa (eye worm) neuropeptide F receptor 0.0109 0.1474 0.1474
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0109 0.1474 0.1626
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0122 0.1717 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0109 0.1474 0.1626
Schistosoma mansoni biogenic amine receptor 0.0109 0.1474 0.1626
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni adenosine deaminase-related 0.0373 0.6758 1
Toxoplasma gondii melibiase subfamily protein 0.0124 0.176 0.0085
Schistosoma mansoni amine GPCR 0.0109 0.1474 0.1626
Schistosoma mansoni AMP deaminase 0.0122 0.1717 0.201
Echinococcus multilocularis neuropeptide receptor A26 0.0109 0.1474 0.1383
Brugia malayi Serotonin receptor 0.0109 0.1474 0.1474
Trypanosoma cruzi AMP deaminase, putative 0.0122 0.1717 0.5
Schistosoma mansoni adenoreceptor 0.0109 0.1474 0.1626
Brugia malayi putative neuropeptide receptor 0.0109 0.1474 0.1474
Schistosoma mansoni adenosine deaminase 0.0373 0.6758 1
Echinococcus multilocularis G protein coupled receptor 139 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.176 0.2078
Schistosoma mansoni biogenic amine receptor 0.0109 0.1474 0.1626
Loa Loa (eye worm) hypothetical protein 0.0286 0.5004 0.5004
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Brugia malayi G protein-coupled receptor 0.0109 0.1474 0.1474
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.0934 0.077
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Onchocerca volvulus 0.0109 0.1474 0.1074
Schistosoma mansoni amine GPCR 0.0109 0.1474 0.1626
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0122 0.1717 0.5
Echinococcus multilocularis g protein coupled receptor 0.0109 0.1474 0.1383
Treponema pallidum adenosine deaminase 0.0373 0.6758 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0252 0.4323 0.4323
Schistosoma mansoni neuropeptide receptor 0.0109 0.1474 0.1626
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0109 0.1474 0.1626
Echinococcus multilocularis somatostatin receptor 0.0109 0.1474 0.1383
Schistosoma mansoni hypothetical protein 0.0109 0.1474 0.1626
Echinococcus multilocularis neuropeptide receptor 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0109 0.1474 0.1474
Echinococcus multilocularis neuropeptide FF receptor 2 0.0109 0.1474 0.1383
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis neuropeptides capa receptor 0.0109 0.1474 0.1383
Echinococcus multilocularis adenosine deaminase 0.0373 0.6758 1
Onchocerca volvulus Adenosine deaminase homolog 0.0373 0.6758 0.6606
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.1474 0.1383
Brugia malayi adenosine monophosphate deaminase 0.0122 0.1717 0.1717
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.1474 0.1626
Onchocerca volvulus 0.0109 0.1474 0.1074
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Plasmodium falciparum adenosine deaminase 0.0373 0.6758 1
Onchocerca volvulus 0.0109 0.1474 0.1074
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0109 0.1474 0.1383
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0373 0.6758 0.5
Brugia malayi Melibiase family protein 0.0082 0.0934 0.0934
Schistosoma mansoni myosin xvIII 0.0109 0.1474 0.1626
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0387 0.7041 0.7041
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0109 0.1474 0.1383
Onchocerca volvulus 0.0109 0.1474 0.1074
Brugia malayi sulfakinin receptor protein 0.0109 0.1474 0.1474
Schistosoma mansoni histamine h1 receptor 0.0109 0.1474 0.1626
Echinococcus multilocularis neuropeptides capa receptor 0.0109 0.1474 0.1383
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0109 0.1474 0.1383
Brugia malayi larval opioid receptor 0.0109 0.1474 0.1474
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Brugia malayi Tachykinin-like peptides receptor 99D 0.0109 0.1474 0.1474
Echinococcus multilocularis G-protein coupled receptor, putative 0.0109 0.1474 0.1383
Brugia malayi hypothetical protein 0.0286 0.5004 0.5004
Brugia malayi Adenosine/AMP deaminase family protein 0.0373 0.6758 0.6758
Brugia malayi GnHR receptor homolog 0.0109 0.1474 0.1474
Brugia malayi neuropeptide F receptor 0.0109 0.1474 0.1474
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0109 0.1474 0.1383
Schistosoma mansoni neuropeptide F-like receptor 0.0109 0.1474 0.1626
Onchocerca volvulus 0.0109 0.1474 0.1074
Brugia malayi RE15519p 0.0109 0.1474 0.1474
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0109 0.1474 0.1383
Leishmania major adenine aminohydrolase 0.0373 0.6758 1
Loa Loa (eye worm) hypothetical protein 0.0373 0.6758 0.6758
Schistosoma mansoni biogenic amine receptor 0.0109 0.1474 0.1626
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) melatonin receptor type 1A 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni opsin-like receptor 0.0109 0.1474 0.1626
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.1474 0.1383
Onchocerca volvulus 0.0109 0.1474 0.1074
Onchocerca volvulus 0.0109 0.1474 0.1074
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0109 0.1474 0.1626
Echinococcus multilocularis g protein coupled receptor 0.0109 0.1474 0.1383
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0109 0.1474 0.1626
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0109 0.1474 0.1626
Brugia malayi G protein-coupled receptor F59B2.13 0.0109 0.1474 0.1474
Schistosoma mansoni neuropeptide receptor 0.0109 0.1474 0.1626
Onchocerca volvulus 0.0109 0.1474 0.1074
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.176 0.1849
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Onchocerca volvulus 0.0109 0.1474 0.1074
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.1474 0.1626
Brugia malayi Dopamine receptor protein 2 0.0109 0.1474 0.1474
Entamoeba histolytica adenosine deaminase, putative 0.0373 0.6758 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0109 0.1474 0.1626
Trypanosoma cruzi AMP deaminase, putative 0.0122 0.1717 0.5
Loa Loa (eye worm) runx1 0.0067 0.0626 0.0626
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis neuropeptide Y receptor 0.0109 0.1474 0.1383
Onchocerca volvulus 0.0109 0.1474 0.1074
Onchocerca volvulus 0.0109 0.1474 0.1074
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0109 0.1474 0.1474
Schistosoma mansoni opsin-like receptor 0.0109 0.1474 0.1626
Schistosoma mansoni neuropeptide receptor 0.0109 0.1474 0.1626
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.1474 0.1626
Brugia malayi putative neuropeptide receptor NPR1 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0122 0.1717 0.1717
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) TYRA-2 protein 0.0109 0.1474 0.1474
Trypanosoma brucei AMP deaminase, putative 0.0122 0.1717 0.5
Echinococcus multilocularis neuropeptide receptor 0.0109 0.1474 0.1383
Trypanosoma cruzi AMP deaminase, putative 0.0122 0.1717 0.5
Onchocerca volvulus 0.0109 0.1474 0.1074
Echinococcus multilocularis allatostatin A receptor 0.0109 0.1474 0.1383
Brugia malayi Melatonin receptor type 1A 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0252 0.4323 0.4323
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0109 0.1474 0.1626
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5004 0.7139
Schistosoma mansoni hypothetical protein 0.0109 0.1474 0.1626
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.1474 0.1383
Plasmodium vivax adenosine deaminase, putative 0.0373 0.6758 1
Onchocerca volvulus 0.0109 0.1474 0.1074
Brugia malayi Serotonin receptor 0.0109 0.1474 0.1474
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0109 0.1474 0.1383
Schistosoma mansoni hypothetical protein 0.0109 0.1474 0.1626
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0109 0.1474 0.1383
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis dro:myosuppressin receptor 0.0109 0.1474 0.1383
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.176 0.0541
Mycobacterium ulcerans adenosine deaminase 0.0373 0.6758 0.5
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0109 0.1474 0.1383
Brugia malayi G-protein coupled receptor 0.0109 0.1474 0.1474
Schistosoma mansoni amine GPCR 0.0109 0.1474 0.1626
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Trypanosoma brucei AMP deaminase, putative 0.0122 0.1717 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.1474 0.1626
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0109 0.1474 0.1383
Brugia malayi hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Entamoeba histolytica adenosine deaminase, putative 0.0373 0.6758 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Schistosoma mansoni growth hormone secretagogue receptor 0.0109 0.1474 0.1626
Echinococcus multilocularis g-protein coupled receptor 0.0109 0.1474 0.1383
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.176 0.2078
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0109 0.1474 0.1383
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0109 0.1474 0.1474
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0449 0.0449
Schistosoma mansoni biogenic amine (5HT) receptor 0.0109 0.1474 0.1626
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0109 0.1474 0.1626
Echinococcus multilocularis orexin receptor type 2 0.0109 0.1474 0.1383
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.1474 0.1383
Echinococcus multilocularis AMP deaminase 2 0.0122 0.1717 0.1779
Trypanosoma cruzi AMP deaminase 2, putative 0.0122 0.1717 0.5
Onchocerca volvulus 0.0109 0.1474 0.1074
Loa Loa (eye worm) hypothetical protein 0.0109 0.1474 0.1474
Loa Loa (eye worm) AMP deaminase 0.0122 0.1717 0.1717
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5004 0.6679

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 10 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 39.81071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 39.81071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 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 (ADMET) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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