Detailed information for compound 1447321

Basic information

Technical information
  • TDR Targets ID: 1447321
  • Name: 3-[7-oxo-6-(2-phenylethyl)-2-(phenylmethoxy)p teridin-8-yl]propanenitrile
  • MW: 411.456 | Formula: C24H21N5O2
  • H donors: 0 H acceptors: 4 LogP: 2.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCn1c2nc(OCc3ccccc3)ncc2nc(c1=O)CCc1ccccc1
  • InChi: 1S/C24H21N5O2/c25-14-7-15-29-22-21(16-26-24(28-22)31-17-19-10-5-2-6-11-19)27-20(23(29)30)13-12-18-8-3-1-4-9-18/h1-6,8-11,16H,7,12-13,15,17H2
  • InChiKey: WIASDSSQCJNBPE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[7-oxo-6-(2-phenylethyl)-2-(phenylmethoxy)-8-pteridinyl]propanenitrile
  • 3-[2-(benzyloxy)-7-keto-6-(2-phenylethyl)pteridin-8-yl]propionitrile
  • PCOP-388099
  • NCGC00011166

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
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
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense 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 MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major cytochrome p450-like protein 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
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
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_132873 All targets in OG5_132873
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0089 0.0074
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0975 0.1349
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0327 0.6846 1
Schistosoma mansoni cytochrome P450 0.0013 0.0113 0.0098
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1158 0.1552
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0016 0.0184 0.0105
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0197 0.0208
Loa Loa (eye worm) hypothetical protein 0.0031 0.0508 0.0662
Brugia malayi follicle stimulating hormone receptor 0.028 0.5837 0.8515
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1077 0.1503
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0041 0.0719 0.4664
Plasmodium falciparum acyl-CoA synthetase 0.0041 0.0719 0.0802
Brugia malayi hypothetical protein 0.0286 0.5963 0.87
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0089 0.0074
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0184 0.0105
Brugia malayi nuclear receptor NHR-88 0.0012 0.0089 0.0049
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.034 0.0337
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0016 0.0184 0.0169
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0089 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0089 0.0049
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1411 0.1928
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0089 0.0049
Schistosoma mansoni cpg binding protein 0.0033 0.0552 0.0537
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0327 0.6846 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0508 0.0493
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0327 0.6846 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0016 0.0184 0.0546
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0089 0.0074
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0016 0.0184 0.0546
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0327 0.6846 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1411 0.1398
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.034 0.0414
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0089 0.0045
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.1158 0.1552
Schistosoma mansoni hypothetical protein 0.0039 0.0685 0.067
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.034 0.0337
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0089 0.0074
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.1158 0.1144
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.1158 0.1619
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0089 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0089 0.0049
Trypanosoma brucei protein kinase, putative 0.0062 0.1158 0.1552
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1411 0.1398
Schistosoma mansoni lamin 0.0031 0.0508 0.0493
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0016 0.0184 0.0546
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0089 0.0074
Echinococcus multilocularis musashi 0.0031 0.0508 0.0493
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0016 0.0184 0.0546
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0016 0.0184 0.0785
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1077 0.15
Brugia malayi ecdysteroid receptor 0.0012 0.0089 0.0049
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0184 0.0188
Schistosoma mansoni hypothetical protein 0.0018 0.023 0.0215
Schistosoma mansoni lamin 0.0031 0.0508 0.0493
Entamoeba histolytica acyl-coA synthetase, putative 0.0055 0.1016 0.1249
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0055 0.1016 0.6958
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0327 0.6846 0.6841
Brugia malayi Cytochrome P450 family protein 0.0023 0.034 0.0418
Leishmania major acetyl-CoA synthetase, putative 0.0016 0.0184 0.0105
Loa Loa (eye worm) cytochrome P450 0.0013 0.0113 0.008
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0089 0.0074
Echinococcus multilocularis geminin 0.0196 0.4048 0.4039
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0089 0.0074
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.1016 0.6958
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0089 0.0045
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0014 0.0136 0.0176
Echinococcus granulosus geminin 0.0196 0.4048 0.4039
Trypanosoma brucei cytochrome P450, putative 0.0023 0.034 0.0337
Echinococcus granulosus lamin 0.0031 0.0508 0.0493
Schistosoma mansoni survival motor neuron protein 0.0058 0.1088 0.1074
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0184 0.0546
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.034 0.1749
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0089 0.0074
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0016 0.0184 0.0546
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0089 0.0074
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0184 0.0546
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0184 0.0105
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0089 0.0074
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0089 0.0049
Plasmodium vivax acyl-CoA synthetase, putative 0.0041 0.0719 0.0802
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0552 0.0726
Brugia malayi nuclear hormone receptor 0.0012 0.0089 0.0049
Brugia malayi cytochrome P450 0.0013 0.0113 0.0084
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.023 0.0215
Entamoeba histolytica acyl-CoA synthetase, putative 0.0055 0.1016 0.1249
Loa Loa (eye worm) hypothetical protein 0.0041 0.0719 0.0972
Loa Loa (eye worm) hypothetical protein 0.0018 0.023 0.0252
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0089 0.0074
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0016 0.0184 0.0546
Loa Loa (eye worm) hypothetical protein 0.0015 0.0149 0.0133
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0016 0.0184 0.0546
Loa Loa (eye worm) hypothetical protein 0.0012 0.0089 0.0045
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1411 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.1158 0.1552
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0327 0.6846 0.6841
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0089 0.0045
Echinococcus multilocularis cpg binding protein 0.0035 0.0593 0.0578
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0055 0.1016 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0055 0.1016 0.6958
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1411 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0055 0.1016 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0975 0.0961
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0089 0.0074
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.067 0.4293
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0184 0.0546
Entamoeba histolytica acyl-CoA synthetase, putative 0.0055 0.1016 0.1249
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5963 0.5957
Echinococcus granulosus cpg binding protein 0.0035 0.0593 0.0578
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0089 0.0074
Loa Loa (eye worm) hypothetical protein 0.0055 0.1016 0.1411
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1158 0.1692
Brugia malayi AMP-binding enzyme family protein 0.0055 0.1016 0.1414
Leishmania major acetyl-CoA synthetase, putative 0.0016 0.0184 0.0105
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0089 0.0074
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0089 0.0074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0685 0.0922
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0184 0.0546
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0009
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.067 0.4293
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0059 0.0044
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0089 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0089 0.0049
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1158 0.1144
Schistosoma mansoni hypothetical protein 0.0013 0.0113 0.0098
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0055 0.1016 0.6958
Onchocerca volvulus 0.0031 0.0508 0.4196
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0197 0.0204
Brugia malayi steroid hormone receptor 0.0012 0.0089 0.0049
Schistosoma mansoni hypothetical protein 0.0018 0.023 0.0215
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0975 0.0961
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.1158 0.1144
Loa Loa (eye worm) hypothetical protein 0.0031 0.0496 0.0644
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.1158 0.1552
Schistosoma mansoni cpg binding protein 0.0035 0.0593 0.0578
Loa Loa (eye worm) CYP4Cod1 0.0023 0.034 0.0414
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0089 0.0049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0975 0.0961
Mycobacterium ulcerans acetyl-CoA synthetase 0.0016 0.0184 0.0546
Schistosoma mansoni hypothetical protein 0.0196 0.4048 0.4039
Leishmania major cytochrome p450-like protein 0.0023 0.034 0.0337
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0089 0.0074
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.023 0.0215
Brugia malayi Latrophilin receptor protein 2 0.0018 0.023 0.0256
Loa Loa (eye worm) oxidoreductase 0.0016 0.0184 0.0184
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.023 0.0252
Echinococcus multilocularis GPCR, family 2 0.0018 0.023 0.0215
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1411 0.1398
Brugia malayi AMP-binding enzyme family protein 0.0055 0.1016 0.1414
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0327 0.6846 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0089 0.0049
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.067 0.4293
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0089 0.0074
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0184
Onchocerca volvulus 0.0016 0.0184 0.095
Loa Loa (eye worm) hypothetical protein 0.0015 0.0149 0.0133
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0016 0.0184 0.0169
Echinococcus granulosus intermediate filament protein 0.0031 0.0508 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0089 0.0049
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0327 0.6846 1
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0016 0.0184 0.0785
Brugia malayi CXXC zinc finger family protein 0.0033 0.0552 0.073
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0184 0.0184
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0089 0.0049
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0041 0.0719 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0089 0.0045
Onchocerca volvulus 0.0016 0.0184 0.095
Loa Loa (eye worm) hypothetical protein 0.0015 0.0162 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0089 0.0049
Loa Loa (eye worm) hypothetical protein 0.0012 0.0089 0.0045
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0089 0.0074
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.1158 0.1552
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0327 0.6846 0.6841
Toxoplasma gondii propionate-CoA ligase 0.0016 0.0184 0.0105
Onchocerca volvulus 0.0055 0.1016 0.9286
Schistosoma mansoni hypothetical protein 0.0196 0.4048 0.4039
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0508 0.0662
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0089 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0089 0.0045
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.1016 0.6958
Onchocerca volvulus 0.0016 0.0184 0.095
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0608 0.0808
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0184 0.0546
Onchocerca volvulus 0.0033 0.0552 0.4632
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1158 0.1692
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0016 0.0184 0.0105
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.023 0.0215
Schistosoma mansoni hypothetical protein 0.0474 1 1
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0184 0.0188
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1158 0.1692
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0975 0.0961
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0089 0.0049
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.5837 0.8514
Echinococcus granulosus lamin dm0 0.0031 0.0508 0.0493
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0089 0.0045
Loa Loa (eye worm) hypothetical protein 0.0041 0.0719 0.0972
Echinococcus multilocularis 0.0013 0.0113 0.0098
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0184 0.0184
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0089 0.0074
Loa Loa (eye worm) hypothetical protein 0.0016 0.0184 0.0184
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0508 0.0666
Brugia malayi intermediate filament protein 0.0031 0.0508 0.0666
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0089 0.0074
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0016 0.0184 0.0546
Leishmania major 4-coumarate:coa ligase-like protein 0.0055 0.1016 0.1341
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0327 0.6846 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0327 0.6846 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.1016 0.6958
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0016 0.0184 0.0546
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0016 0.0184 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0975 0.0961
Schistosoma mansoni hypothetical protein 0.0018 0.023 0.0215
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.1016 0.6958
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0089 0.0074
Trichomonas vaginalis antibiotic synthetase, putative 0.0016 0.0184 0.0269
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0184 0.0188
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.1352 0.1338
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0184 0.0546
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0089 0.0049
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0184 0.0546
Brugia malayi Cytochrome P450 family protein 0.0036 0.0608 0.0812
Onchocerca volvulus 0.0016 0.0184 0.095
Loa Loa (eye worm) hypothetical protein 0.0286 0.5963 0.87
Loa Loa (eye worm) hypothetical protein 0.0041 0.0719 0.0972
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1411 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0508 0.0662
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0016 0.0184 0.0546
Schistosoma mansoni hypothetical protein 0.0018 0.023 0.0215
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0162 0.0146
Trichomonas vaginalis antibiotic synthetase, putative 0.0016 0.0184 0.0269
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0041 0.0719 0.4664
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0016 0.0184 0.0546
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0162 0.0146
Loa Loa (eye worm) hypothetical protein 0.0055 0.1016 0.1411
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.119 0.1599
Echinococcus multilocularis lamin dm0 0.0031 0.0508 0.0493
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1077 0.1503
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1088 0.1519
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.023 0.0256
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5963 0.5957
Echinococcus granulosus cytochrome P450 2K1 0.0013 0.0113 0.0098
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0184 0.0546
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0016 0.0184 0.0188
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0016 0.0184 0.0188
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0016 0.0184 0.0105
Brugia malayi Cytochrome P450 family protein 0.0013 0.0113 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0089 0.0049
Loa Loa (eye worm) hypothetical protein 0.0055 0.1016 0.1411
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.034 0.0414
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0685 0.0926
Loa Loa (eye worm) hypothetical protein 0.0041 0.0719 0.0972
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0327 0.6846 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0089 0.0049
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0184 0.0546
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1158 0.1552
Brugia malayi MAP kinase sur-1 0.0062 0.1158 0.1623
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0327 0.6846 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0089 0.0074
Onchocerca volvulus 0.0031 0.0508 0.4196
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0975 0.0961
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0089 0.0074
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1158 0.1692
Echinococcus multilocularis lamin 0.0031 0.0508 0.0493
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.067 0.4293
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0975 0.1353
Echinococcus granulosus GPCR family 2 0.0018 0.023 0.0215
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0059 0.0044
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0089 0.0074
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.1158 0.1144
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0089 0.0074
Loa Loa (eye worm) hypothetical protein 0.0012 0.0089 0.0045
Schistosoma mansoni hypothetical protein 0.0058 0.1088 0.1074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0089 0.0045
Brugia malayi AMP-binding enzyme family protein 0.0055 0.1016 0.1414
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0184 0.0546
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0016 0.0184 0.0546
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.1158 0.1144
Echinococcus multilocularis dnaJ subfamily B 0.0474 1 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0327 0.6846 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0184 0.0546
Mycobacterium ulcerans hypothetical protein 0.0055 0.1016 0.6958
Loa Loa (eye worm) hypothetical protein 0.0012 0.0089 0.0045
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.023 0.0215
Schistosoma mansoni coup transcription factor 0.0012 0.0089 0.0074
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0016 0.0184 0.0546
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0016 0.0184 0.0105
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0327 0.6846 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0184 0.0546
Leishmania major 4-coumarate:coa ligase-like protein 0.0055 0.1016 0.1341
Brugia malayi Cytochrome P450 family protein 0.0023 0.034 0.0418
Loa Loa (eye worm) hypothetical protein 0.0041 0.0719 0.0972
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.1016 0.6958
Schistosoma mansoni cpg binding protein 0.0035 0.0593 0.0578
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0016 0.0184 0.0105
Loa Loa (eye worm) hypothetical protein 0.0058 0.1077 0.15
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1411 0.1928
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0327 0.6846 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.1158 0.1552
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0184 0.0105
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0975 0.0961
Onchocerca volvulus 0.0058 0.1088 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0055 0.1016 0.6958
Schistosoma mansoni acetyl-CoA synthetase 0.0016 0.0184 0.0169
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0016 0.0184 0.0785
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0089 0.0074
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0184 0.0105
Leishmania major 4-coumarate:coa ligase-like protein 0.0055 0.1016 0.1341
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0089 0.0049
Loa Loa (eye worm) hypothetical protein 0.0012 0.0089 0.0045
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.1158 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1411 0.1398
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0089 0.0045
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0016 0.0184 0.0546
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0089 0.0049
Loa Loa (eye worm) hypothetical protein 0.0012 0.0089 0.0045
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1411 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0327 0.6846 1
Brugia malayi AMP-binding enzyme family protein 0.0016 0.0184 0.0188
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0089 0.0045
Loa Loa (eye worm) hypothetical protein 0.0012 0.0089 0.0045
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.1158 0.1552

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-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.199526231 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) = 12.58925412 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) = 15.84893192 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-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (ADMET) = 0.1995 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 0.1995 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 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 (functional) = 5.0119 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) = 12.5893 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 (ADMET) = 15.8489 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] 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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