Detailed information for compound 1236333

Basic information

Technical information
  • TDR Targets ID: 1236333
  • Name: 3-(4-methoxyphenyl)-N-[[1-(3-methylbenzoyl)-2 ,3-dihydroindol-5-yl]methyl]propanamide
  • MW: 428.523 | Formula: C27H28N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCC(=O)NCc1ccc2c(c1)CCN2C(=O)c1cccc(c1)C
  • InChi: 1S/C27H28N2O3/c1-19-4-3-5-23(16-19)27(31)29-15-14-22-17-21(8-12-25(22)29)18-28-26(30)13-9-20-6-10-24(32-2)11-7-20/h3-8,10-12,16-17H,9,13-15,18H2,1-2H3,(H,28,30)
  • InChiKey: KOUSLFXYPGQVKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-methoxyphenyl)-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]propanamide
  • 3-(4-methoxyphenyl)-N-[[1-[(3-methylphenyl)-oxomethyl]-5-indolinyl]methyl]propanamide
  • 3-(4-methoxyphenyl)-N-[[1-(3-methylbenzoyl)indolin-5-yl]methyl]propionamide
  • 3-(4-methoxyphenyl)-N-[[1-(3-methylphenyl)carbonyl-2,3-dihydroindol-5-yl]methyl]propanamide
  • G883-1503
  • NCGC00137807-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Steroid receptor seven-up type 2 0.0171 0.3899 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0171 0.3899 0.3899
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0153 0.3439 0.8821
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.003 0.0288 0.0288
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1102 0.2826
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0171 0.3899 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1102 0.2826
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.002 0.0029 0.0029
Brugia malayi Cyclic-nucleotide gated cation channel 0.003 0.0288 0.0738
Brugia malayi nuclear hormone receptor 0.0171 0.3899 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0081 0.158 0.4054
Schistosoma mansoni voltage-gated potassium channel 0.003 0.0288 0.0738
Schistosoma mansoni voltage-gated potassium channel 0.0024 0.013 0.0333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0171 0.3899 1
Schistosoma mansoni voltage-gated potassium channel 0.0167 0.38 0.9747
Brugia malayi Cytochrome P450 family protein 0.0031 0.0309 0.0792
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0171 0.3899 1
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0029 0.0075
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.009 0.1829 0.1829
Echinococcus granulosus Nuclear hormone receptor HR96 0.0081 0.158 0.158
Loa Loa (eye worm) hypothetical protein 0.009 0.1829 0.469
Echinococcus granulosus cGMP dependent protein kinase 1 0.002 0.0029 0.0029
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0081 0.158 0.4054
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1102 0.2826
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.002 0.0029 0.0075
Brugia malayi MH2 domain containing protein 0.0144 0.3217 0.825
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0029 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0262 0.0672
Onchocerca volvulus 0.0081 0.158 0.4009
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0081 0.158 0.158
Echinococcus granulosus ecdysone induced protein 78C 0.0171 0.3899 0.3899
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0171 0.3899 1
Loa Loa (eye worm) nuclear hormone receptor 0.0081 0.158 0.4054
Loa Loa (eye worm) nuclear receptor NHR-67 0.0081 0.158 0.4054
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0171 0.3899 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0143 0.318 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3217 0.825
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0171 0.3899 0.3899
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.002 0.0029 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0075
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Echinococcus granulosus voltage gated potassium channel 0.0044 0.0649 0.0649
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0649 0.1663
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.002 0.0029 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1102 0.2826
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0309 0.0792
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1058 0.2714
Loa Loa (eye worm) hypothetical protein 0.0171 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Onchocerca volvulus 0.006 0.1046 0.2627
Echinococcus multilocularis ecdysone induced protein 78C 0.0171 0.3899 0.3899
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0649 0.1663
Schistosoma mansoni retinoid-x-receptor (RXR) 0.009 0.1829 0.469
Echinococcus granulosus FTZ F1 alpha 0.0171 0.3899 0.3899
Schistosoma mansoni hypothetical protein 0.0041 0.0568 0.1458
Echinococcus granulosus cGMP dependent protein kinase 0.002 0.0029 0.0029
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0044 0.0649 0.1663
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0029 0.0075
Schistosoma mansoni 60S ribosomal protein L21 0.0024 0.013 0.0333
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1046 0.2682
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0171 0.3899 0.3899
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Loa Loa (eye worm) hypothetical protein 0.006 0.1058 0.2714
Treponema pallidum cyclic nucleotide binding protein 0.002 0.0029 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0081 0.158 0.158
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0171 0.3899 0.3899
Onchocerca volvulus Bile acid receptor homolog 0.0171 0.3899 1
Brugia malayi hypothetical protein 0.0081 0.158 0.4054
Echinococcus granulosus cyclic nucleotide gated cation channel 0.003 0.0288 0.0288
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0171 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0171 0.3899 0.3899
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0081 0.158 0.158
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0081 0.158 0.158
Schistosoma mansoni similar to Protein C20orf152 homolog 0.002 0.0029 0.0075
Loa Loa (eye worm) CYP4Cod1 0.0029 0.0262 0.0672
Mycobacterium leprae Conserved hypothetical protein 0.002 0.0029 0.5
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.002 0.0029 0.5
Schistosoma mansoni nuclear hormone receptor 0.0081 0.158 0.4054
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.002 0.0029 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0568 0.1458
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0081 0.158 0.4009
Echinococcus multilocularis cGMP dependent protein kinase 1 0.002 0.0029 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0171 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.003 0.0288 0.0288
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Treponema pallidum cyclic nucleotide binding protein 0.002 0.0029 0.5
Mycobacterium tuberculosis Conserved protein 0.002 0.0029 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0171 0.3899 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0171 0.3899 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0171 0.3899 0.3899
Schistosoma mansoni hypothetical protein 0.002 0.0029 0.0075
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.002 0.0029 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1102 0.2826
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0081 0.158 0.4054
Onchocerca volvulus 0.0171 0.3899 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.003 0.0288 0.0288
Brugia malayi hypothetical protein 0.0081 0.158 0.4054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0171 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.009 0.1829 0.469
Echinococcus multilocularis voltage gated potassium channel 0.0044 0.0649 0.0649
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.002 0.0029 0.5
Brugia malayi nuclear receptor NHR-88 0.0081 0.158 0.4054
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.002 0.0029 0.5
Brugia malayi nuclear receptor RXR 0.009 0.1829 0.469
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.0288 0.0738
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1102 0.2826
Schistosoma mansoni retinoic acid receptor RXR 0.0171 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0075
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1102 0.2826
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.003 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Brugia malayi photoreceptor-specific nuclear receptor 0.0171 0.3899 1
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.002 0.0029 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0171 0.3899 1
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0262 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0081 0.158 0.4054
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.002 0.0029 0.0029
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0143 0.318 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0171 0.3899 1
Schistosoma mansoni voltage-gated potassium channel 0.0167 0.38 0.9747
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0044 0.0649 0.0649
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.0288 0.0738
Brugia malayi nuclear receptor NHR-88 0.0171 0.3899 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0171 0.3899 0.3899
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0171 0.3899 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.002 0.0029 0.0075
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.009 0.1829 0.469
Loa Loa (eye worm) hypothetical protein 0.0133 0.292 0.749
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.002 0.0029 0.0075
Brugia malayi Nuclear hormone receptor-like 1 0.009 0.1829 0.469
Plasmodium falciparum cGMP-dependent protein kinase 0.002 0.0029 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0171 0.3899 1
Brugia malayi Cytochrome P450 family protein 0.0029 0.0262 0.0672
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0171 0.3899 0.3899
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.002 0.0029 0.0075
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0171 0.3899 0.3899
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0081 0.158 0.4054
Echinococcus granulosus cyclic nucleotide gated cation channel 0.002 0.0029 0.0029
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0153 0.3439 0.3439
Brugia malayi ecdysone receptor 0.0081 0.158 0.4054
Loa Loa (eye worm) hypothetical protein 0.006 0.1046 0.2682
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1058 0.2714
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0171 0.3899 1
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.002 0.0029 0.5
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.002 0.0029 0.5
Brugia malayi RNA binding protein 0.0062 0.1102 0.2826
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0262 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0171 0.3899 0.3899
Loa Loa (eye worm) hypothetical protein 0.009 0.1829 0.469
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0171 0.3899 1
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0029 0.0075
Brugia malayi nuclear receptor NHR-67 0.0081 0.158 0.4054
Treponema pallidum catabolite gene activator 0.002 0.0029 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.0288 0.0738
Onchocerca volvulus 0.0081 0.158 0.4009
Brugia malayi hypothetical protein 0.009 0.1829 0.469
Brugia malayi nuclear receptor RXR 0.0081 0.158 0.4054
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0081 0.158 0.4009
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0029 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0171 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0288 0.0738
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0171 0.3899 1
Trypanosoma brucei cytochrome P450, putative 0.0029 0.0262 1
Brugia malayi Nuclear hormone receptor-like 1 0.009 0.1829 0.469
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.002 0.0029 0.0029
Brugia malayi Nuclear hormone receptor E75 0.0081 0.158 0.4054
Echinococcus granulosus patatin phospholipase domain containing protein 0.002 0.0029 0.0029
Echinococcus granulosus cGMP dependent protein kinase 1 0.002 0.0029 0.0029
Echinococcus granulosus tar DNA binding protein 0.0062 0.1102 0.1102
Treponema pallidum catabolite gene activator (Crp) 0.002 0.0029 0.5
Schistosoma mansoni thyroid hormone receptor 0.0171 0.3899 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.003 0.0288 0.0738
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.003 0.0288 0.0288
Brugia malayi Cytochrome P450 family protein 0.0029 0.0262 0.0672
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.0288 0.0738
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0171 0.3899 0.3899
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.003 0.0288 0.0288
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1102 0.2826
Schistosoma mansoni coup transcription factor 0.0171 0.3899 1
Schistosoma mansoni nuclear hormone receptor 0.0171 0.3899 1
Brugia malayi Nuclear hormone receptor-like 1 0.0171 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Brugia malayi conserved hypotetical protein 0.0081 0.158 0.4054
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0171 0.3899 1
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.002 0.0029 0.0075
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.002 0.0029 0.0075
Brugia malayi TAR-binding protein 0.0062 0.1102 0.2826
Brugia malayi steroid hormone receptor 0.0171 0.3899 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.002 0.0029 0.5
Schistosoma mansoni thyroid hormone receptor 0.0171 0.3899 1
Echinococcus multilocularis FTZ F1 alpha 0.0171 0.3899 0.3899
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.002 0.0029 0.0075
Loa Loa (eye worm) RNA binding protein 0.0062 0.1102 0.2826
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0171 0.3899 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 0.158 0.158
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.002 0.0029 0.5
Echinococcus multilocularis patatin phospholipase domain containing protein 0.002 0.0029 0.0029
Echinococcus granulosus nuclear receptor nhr 48 0.0081 0.158 0.158
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.009 0.1829 0.469
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0171 0.3899 0.3899
Schistosoma mansoni nuclear hormone receptor 0.0081 0.158 0.4054
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0081 0.158 0.158
Echinococcus multilocularis hyperpolarization activated cyclic 0.003 0.0288 0.0288
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.002 0.0029 0.5
Brugia malayi ecdysteroid receptor 0.0171 0.3899 1
Echinococcus granulosus hyperpolarization activated cyclic 0.003 0.0288 0.0288
Loa Loa (eye worm) DR-78 0.0081 0.158 0.4054
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.002 0.0029 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0081 0.158 0.4054
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0044 0.0649 0.0649
Schistosoma mansoni RAR-like nuclear receptor 0.0171 0.3899 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1102 0.1102
Echinococcus multilocularis expressed conserved protein 0.002 0.0029 0.0029
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.002 0.0029 0.0075
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Echinococcus multilocularis nuclear receptor nhr 48 0.0081 0.158 0.158
Brugia malayi N-terminal motif family protein 0.002 0.0029 0.0075
Echinococcus multilocularis thyroid hormone receptor alpha 0.0171 0.3899 0.3899
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0171 0.3899 1
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.002 0.0029 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Loa Loa (eye worm) hypothetical protein 0.009 0.1829 0.469
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.0288 0.082
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0262 0.0672
Loa Loa (eye worm) hypothetical protein 0.0171 0.3899 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0171 0.3899 0.3899
Brugia malayi tailless protein 0.0081 0.158 0.4054
Echinococcus multilocularis hyperpolarization activated cyclic 0.003 0.0288 0.0288
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0568 0.1458
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0171 0.3899 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0171 0.3899 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3217 0.825
Loa Loa (eye worm) hypothetical protein 0.0171 0.3899 1
Brugia malayi Egg laying defective protein 4 0.002 0.0029 0.0075
Loa Loa (eye worm) hypothetical protein 0.0171 0.3899 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.002 0.0029 0.0029
Echinococcus granulosus hyperpolarization activated cyclic 0.003 0.0288 0.0288
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.002 0.0029 0.0029
Brugia malayi nuclear hormone receptor 0.0081 0.158 0.4054
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.002 0.0029 0.0075
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.002 0.0029 0.0075
Schistosoma mansoni nuclear receptor 0.0081 0.158 0.4054
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0171 0.3899 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.0288 0.0738
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 0.158 0.158
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0081 0.158 0.4054
Loa Loa (eye worm) hypothetical protein 0.0171 0.3899 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0171 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.3899 1
Echinococcus multilocularis cGMP dependent protein kinase 1 0.002 0.0029 0.0029
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.002 0.0029 0.5
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.002 0.0029 0.0029
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0171 0.3899 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0171 0.3899 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0153 0.3439 0.3439
Loa Loa (eye worm) hypothetical protein 0.009 0.1829 0.469
Loa Loa (eye worm) hypothetical protein 0.0171 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.3899 1
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.002 0.0029 0.5
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.002 0.0029 0.5
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.003 0.0288 0.0738
Schistosoma mansoni nuclear receptor 0.0081 0.158 0.4054
Schistosoma mansoni zinc finger protein 0.0081 0.158 0.4054
Loa Loa (eye worm) steroid hormone receptor 0.0171 0.3899 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.009 0.1829 0.1829
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.0288 0.082
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.002 0.0029 0.0075
Brugia malayi Nuclear hormone receptor E75 0.0081 0.158 0.4054
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.002 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0044 0.0649 0.1663
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0081 0.158 0.158
Leishmania major cytochrome p450-like protein 0.0029 0.0262 1
Schistosoma mansoni nuclear receptor nhr-48 0.0081 0.158 0.4054
Echinococcus granulosus Nuclear hormone receptor HR96 0.0081 0.158 0.158
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0029 0.0262 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Brugia malayi hypothetical protein 0.009 0.1829 0.469
Loa Loa (eye worm) AGC/PKG protein kinase 0.002 0.0029 0.0075
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.002 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.002 0.0029 0.0075
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0153 0.3439 0.8821
Loa Loa (eye worm) hypothetical protein 0.0081 0.158 0.4054
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1058 0.2714
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0171 0.3899 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0171 0.3899 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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