Detailed information for compound 1338797

Basic information

Technical information
  • TDR Targets ID: 1338797
  • Name: 6-(oxolan-2-ylmethyl)benzo[d][2]benzazepine-5 ,7-dione
  • MW: 307.343 | Formula: C19H17NO3
  • H donors: 0 H acceptors: 2 LogP: 2.93 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c2ccccc2c2c(c(=O)n1CC1CCCO1)cccc2
  • InChi: 1S/C19H17NO3/c21-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19(22)20(18)12-13-6-5-11-23-13/h1-4,7-10,13H,5-6,11-12H2
  • InChiKey: TWXNAQPMENKMJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-(tetrahydrofuran-2-ylmethyl)benzo[d][2]benzazepine-5,7-dione
  • 6-(2-tetrahydrofuranylmethyl)benzo[d][2]benzazepine-5,7-dione
  • 6-(tetrahydrofurfuryl)benzo[d][2]benzazepine-5,7-quinone
  • SMR000105614
  • BIM-0031045.P001
  • CBMicro_031133
  • Oprea1_877439
  • IDI1_002543
  • MixCom6_001437
  • 6-(Tetrahydro-furan-2-ylmethyl)-dibenzo[c,e]azepine-5,7-dione
  • BAS 01354964
  • STK156498
  • ChemDiv2_003828
  • Oprea1_592935
  • EU-0042337
  • MLS000109674

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Dopamine receptor 0.0075 0.0118 0.0122
Schistosoma mansoni opsin-like receptor 0.0075 0.0118 0.0118
Schistosoma mansoni biogenic amine (5HT) receptor 0.0075 0.0118 0.0118
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0075 0.0118 0.0118
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0075 0.0118 0.011
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0393 0.1231 0.2905
Onchocerca volvulus 0.0075 0.0118 0.5
Schistosoma mansoni neuropeptide receptor 0.0075 0.0118 0.0118
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0067 0.0069
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0393 0.1231 0.2905
Onchocerca volvulus 0.0075 0.0118 0.5
Echinococcus granulosus g protein coupled receptor 0.0075 0.0118 0.011
Echinococcus granulosus rhodopsin orphan GPCR 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0393 0.1231 0.3233
Schistosoma mansoni neuropeptide receptor 0.0075 0.0118 0.0118
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0075 0.0118 0.0122
Echinococcus granulosus G protein coupled receptor 139 0.0075 0.0118 0.011
Schistosoma mansoni amine GPCR 0.0075 0.0118 0.0118
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0001 0.0001
Onchocerca volvulus 0.0075 0.0118 0.5
Schistosoma mansoni hypothetical protein 0.0075 0.0118 0.0118
Echinococcus granulosus rhodopsin orphan GPCR 0.0075 0.0118 0.011
Echinococcus granulosus g protein coupled receptor 0.0075 0.0118 0.011
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0101 0.0211 0.0203
Echinococcus granulosus neuropeptide receptor 0.0075 0.0118 0.011
Loa Loa (eye worm) neuropeptide F receptor 0.0075 0.0118 0.0122
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0075 0.0118 0.0118
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0249 0.0729 0.0874
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Brugia malayi Serotonin receptor 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis rhodopsin orphan GPCR 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0075 0.0118 0.011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0075 0.0118 0.0118
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0075 0.0118 0.0118
Onchocerca volvulus 0.0075 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0249 0.0729 0.0729
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Echinococcus granulosus neuropeptide receptor A26 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.006 0.0067 0.0069
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0075 0.0118 0.0118
Trypanosoma brucei acetyl-CoA carboxylase 0.2897 1 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1104 0.372 0.372
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0393 0.1231 0.2905
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1104 0.372 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0075 0.0118 0.011
Echinococcus multilocularis fmrfamide receptor 0.0075 0.0118 0.011
Echinococcus multilocularis rhodopsin orphan GPCR 0.0075 0.0118 0.011
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0075 0.0118 0.011
Brugia malayi putative neuropeptide receptor NPR1 0.0075 0.0118 0.0122
Echinococcus granulosus somatostatin receptor 0.0075 0.0118 0.011
Schistosoma mansoni aspartate carbamoyltransferase 0.0249 0.0729 0.0729
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0393 0.1231 0.172
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1104 0.372 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0075 0.0118 0.011
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0393 0.1231 0.1041
Brugia malayi putative neuropeptide receptor 0.0075 0.0118 0.0122
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0101 0.0211 0.0219
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0075 0.0118 0.0118
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0393 0.1231 0.2905
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0008 0.0008
Echinococcus multilocularis neuropeptide Y receptor 0.0075 0.0118 0.011
Echinococcus granulosus hypothetical protein 0.0075 0.0118 0.011
Schistosoma mansoni neuropeptide F-like receptor 0.0075 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni neuropeptide receptor 0.0075 0.0118 0.0118
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1104 0.372 0.3584
Echinococcus multilocularis fmrfamide receptor 0.0075 0.0118 0.011
Chlamydia trachomatis biotin carboxylase 0.1002 0.3365 1
Echinococcus multilocularis neuropeptide receptor 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis g protein coupled receptor 0.0075 0.0118 0.011
Brugia malayi Dopamine receptor protein 1 0.0075 0.0118 0.0122
Brugia malayi Melatonin receptor type 1A 0.0075 0.0118 0.0122
Echinococcus granulosus g-protein coupled receptor 0.0075 0.0118 0.011
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0075 0.0118 0.0118
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0101 0.0211 0.0219
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Brugia malayi neuropeptide F receptor 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni amine GPCR 0.0075 0.0118 0.0118
Schistosoma mansoni neuropeptide F-like receptor 0.0075 0.0118 0.0118
Onchocerca volvulus 0.0075 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0075 0.0118 0.0118
Onchocerca volvulus 0.0075 0.0118 0.5
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0393 0.1231 0.172
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0393 0.1231 0.1231
Echinococcus multilocularis rhodopsin orphan GPCR 0.0075 0.0118 0.011
Onchocerca volvulus 0.0075 0.0118 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0075 0.0118 0.011
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0101 0.0211 0.0203
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2097 0.7197 1
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0393 0.1231 0.2905
Brugia malayi GnHR receptor homolog 0.0075 0.0118 0.0122
Brugia malayi larval opioid receptor 0.0075 0.0118 0.0122
Brugia malayi G protein-coupled receptor F59B2.13 0.0075 0.0118 0.0122
Schistosoma mansoni biogenic amine receptor 0.0075 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus granulosus Biotin lipoyl attachment 0.0101 0.0211 0.0203
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0393 0.1231 0.2905
Plasmodium falciparum carbamoyl phosphate synthetase 0.0249 0.0729 0.0742
Schistosoma mansoni hypothetical protein 0.0075 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) G-protein coupled receptor 0.0075 0.0118 0.0122
Echinococcus granulosus biogenic amine 5HT receptor 0.0075 0.0118 0.011
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0075 0.0118 0.0122
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0075 0.0118 0.011
Echinococcus granulosus serotonin receptor 0.0075 0.0118 0.011
Echinococcus multilocularis orexin receptor type 2 0.0075 0.0118 0.011
Echinococcus granulosus rhodopsin orphan GPCR 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Brugia malayi Carboxyl transferase domain containing protein 0.2796 0.9645 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0067 0.0069
Echinococcus multilocularis neuropeptides capa receptor 0.0075 0.0118 0.011
Echinococcus multilocularis somatostatin receptor 0.0075 0.0118 0.011
Schistosoma mansoni histamine h1 receptor 0.0075 0.0118 0.0118
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0075 0.0118 0.0118
Echinococcus granulosus rhodopsin orphan GPCR 0.0075 0.0118 0.011
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0075 0.0118 0.011
Brugia malayi G-protein coupled receptor 0.0075 0.0118 0.0122
Brugia malayi Dopamine receptor protein 2 0.0075 0.0118 0.0122
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0075 0.0118 0.011
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0075 0.0118 0.0118
Schistosoma mansoni hypothetical protein 0.0043 0.0008 0.0008
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0075 0.0118 0.0118
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1104 0.372 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0075 0.0118 0.011
Echinococcus granulosus rhodopsin orphan GPCR 0.0075 0.0118 0.011
Echinococcus granulosus alpha 1A adrenergic receptor 0.0075 0.0118 0.011
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0393 0.1231 0.2905
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0249 0.0729 0.0874
Schistosoma mansoni opsin-like receptor 0.0075 0.0118 0.0118
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1104 0.372 1
Echinococcus multilocularis sex peptide receptor 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1104 0.372 0.5922
Echinococcus granulosus tm gpcr rhodopsin 0.0075 0.0118 0.011
Onchocerca volvulus 0.0075 0.0118 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0075 0.0118 0.0122
Echinococcus multilocularis neuropeptide FF receptor 2 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0393 0.1231 0.2905
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0075 0.0118 0.0118
Schistosoma mansoni acetyl-CoA carboxylase 0.2897 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0075 0.0118 0.011
Brugia malayi hypothetical protein 0.0043 0.0008 0.0008
Treponema pallidum pyruvate carboxylase subunit B 0.0101 0.0211 0.5
Schistosoma mansoni biogenic amine receptor 0.0075 0.0118 0.0118
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1104 0.372 0.3715
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0393 0.1231 0.2905
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0249 0.0729 0.1476
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis neuropeptide Y receptor 0.0075 0.0118 0.011
Echinococcus granulosus neuropeptide Y receptor 0.0075 0.0118 0.011
Echinococcus granulosus sex peptide receptor 0.0075 0.0118 0.011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0075 0.0118 0.0118
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0075 0.0118 0.0118
Echinococcus granulosus fmrfamide receptor 0.0075 0.0118 0.011
Echinococcus multilocularis allatostatin A receptor 0.0075 0.0118 0.011
Mycobacterium ulcerans pyruvate carboxylase 0.1104 0.372 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1104 0.372 0.3715
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni pyruvate carboxylase 0.1104 0.372 0.372
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni adenoreceptor 0.0075 0.0118 0.0118
Schistosoma mansoni neuropeptide f receptor 76f 0.0075 0.0118 0.0118
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0075 0.0118 0.0118
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0075 0.0118 0.011
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.2897 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus granulosus tachykinin peptides receptor 99D 0.0075 0.0118 0.011
Brugia malayi follicle stimulating hormone receptor 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus granulosus neuropeptide FF receptor 2 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0075 0.0118 0.011
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0494 0.1586 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) neuropeptide F receptor 0.0075 0.0118 0.0122
Brugia malayi ORL1-like opioid receptor 0.0075 0.0118 0.0122
Leishmania major carboxylase, putative 0.1104 0.372 0.3584
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus granulosus neuropeptides capa receptor 0.0075 0.0118 0.011
Schistosoma mansoni amine GPCR 0.0075 0.0118 0.0118
Brugia malayi G protein-coupled receptor 0.0075 0.0118 0.0122
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0075 0.0118 0.011
Toxoplasma gondii carbamoylphosphate synthetase 0.0249 0.0729 0.0529
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0101 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis serotonin receptor 0.0075 0.0118 0.011
Echinococcus granulosus neuropeptide Y receptor 0.0075 0.0118 0.011
Onchocerca volvulus 0.0075 0.0118 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0075 0.0118 0.0122
Echinococcus granulosus neuropeptides capa receptor 0.0075 0.0118 0.011
Echinococcus granulosus rhodopsin orphan GPCR 0.0075 0.0118 0.011
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1104 0.372 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0075 0.0118 0.5
Onchocerca volvulus 0.0075 0.0118 0.5
Onchocerca volvulus 0.0075 0.0118 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0075 0.0118 0.0122
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0101 0.0211 0.0211
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0249 0.0729 0.1476
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0101 0.0211 0.0219
Echinococcus granulosus 7TM GPCR rhodopsin 0.0075 0.0118 0.011
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0101 0.0211 0.0211
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0067 0.0069
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0393 0.1231 0.2905
Trypanosoma brucei unspecified product 0.0726 0.2396 0.2232
Onchocerca volvulus 0.0075 0.0118 0.5
Schistosoma mansoni opsin-like receptor 0.0075 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0075 0.0118 0.0118
Echinococcus multilocularis serotonin receptor 0.0075 0.0118 0.011
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0249 0.0729 0.0742
Echinococcus multilocularis G protein coupled receptor 139 0.0075 0.0118 0.011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0075 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.2897 1 1
Echinococcus multilocularis g protein coupled receptor 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0075 0.0118 0.011
Onchocerca volvulus 0.0075 0.0118 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0075 0.0118 0.011
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0101 0.0211 0.0211
Brugia malayi Serotonin receptor 0.0075 0.0118 0.0122
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.2897 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis neuropeptide receptor A26 0.0075 0.0118 0.011
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0393 0.1231 0.1041
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0075 0.0118 0.011
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1104 0.372 0.3584
Schistosoma mansoni amine GPCR 0.0075 0.0118 0.0118
Onchocerca volvulus 0.0075 0.0118 0.5
Echinococcus granulosus g protein coupled receptor 0.0075 0.0118 0.011
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0075 0.0118 0.011
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0101 0.0211 0.0203
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0075 0.0118 0.011
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1104 0.372 0.3584
Trypanosoma cruzi acetyl-CoA carboxylase 0.1794 0.6136 1
Echinococcus multilocularis g-protein coupled receptor 0.0075 0.0118 0.011
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1104 0.372 0.5922
Schistosoma mansoni alpha-1 adrenergic receptor 0.0075 0.0118 0.0118
Echinococcus multilocularis neuropeptides capa receptor 0.0075 0.0118 0.011
Echinococcus multilocularis dro:myosuppressin receptor 0.0075 0.0118 0.011
Brugia malayi sulfakinin receptor protein 0.0075 0.0118 0.0122
Echinococcus granulosus biogenic amine 5HT receptor 0.0075 0.0118 0.011
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0075 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0075 0.0118 0.0118
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0075 0.0118 0.0118
Leishmania major carbamoyl-phosphate synthase, putative 0.0249 0.0729 0.0529
Echinococcus multilocularis rhodopsin orphan GPCR 0.0075 0.0118 0.011
Echinococcus granulosus allatostatin A receptor 0.0075 0.0118 0.011
Echinococcus multilocularis G-protein coupled receptor, putative 0.0075 0.0118 0.011
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0075 0.0118 0.0122
Loa Loa (eye worm) melatonin receptor type 1A 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0101 0.0211 0.0219
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0075 0.0118 0.011
Echinococcus multilocularis rhodopsin orphan GPCR 0.0075 0.0118 0.011
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis rhodopsin orphan GPCR 0.0075 0.0118 0.011
Schistosoma mansoni hypothetical protein 0.0075 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0101 0.0211 0.0203
Echinococcus granulosus rhodopsin orphan GPCR 0.0075 0.0118 0.011
Loa Loa (eye worm) G-protein coupled receptor 0.0075 0.0118 0.0122
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0494 0.1586 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0075 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Brugia malayi RE15519p 0.0075 0.0118 0.0122
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0393 0.1231 0.1224
Schistosoma mansoni neuropeptide receptor 0.0075 0.0118 0.0118
Leishmania major acetyl-CoA carboxylase, putative 0.2897 1 1
Schistosoma mansoni biogenic amine receptor 0.0075 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Echinococcus granulosus tm gpcr rhodopsin 0.0075 0.0118 0.011
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0075 0.0118 0.0122
Brugia malayi AKH receptor 0.0075 0.0118 0.0122
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0393 0.1231 0.2905
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0249 0.0729 0.0529
Brugia malayi G-protein coupled receptor 0.0075 0.0118 0.0122
Echinococcus multilocularis Biotin lipoyl attachment 0.0101 0.0211 0.0203
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0075 0.0118 0.0122
Echinococcus granulosus dro:myosuppressin receptor 0.0075 0.0118 0.011
Schistosoma mansoni biogenic amine (5HT) receptor 0.0075 0.0118 0.0118
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0393 0.1231 0.1041
Schistosoma mansoni hypothetical protein 0.0075 0.0118 0.0118
Onchocerca volvulus 0.0075 0.0118 0.5
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1104 0.372 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0075 0.0118 0.0122
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0075 0.0118 0.0118
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0393 0.1231 0.2905
Onchocerca volvulus 0.0075 0.0118 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0075 0.0118 0.0122
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0393 0.1231 0.172
Schistosoma mansoni growth hormone secretagogue receptor 0.0075 0.0118 0.0118
Toxoplasma gondii pyruvate carboxylase 0.1104 0.372 0.3584
Brugia malayi neuropeptide F receptor 0.0075 0.0118 0.0122
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0001 0.0001
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0075 0.0118 0.011
Echinococcus multilocularis neuropeptide s receptor 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0101 0.0211 0.0219
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2097 0.7197 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0249 0.0729 0.0729
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0075 0.0118 0.0118
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0075 0.0118 0.011
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0101 0.0211 0.0219
Echinococcus granulosus neuropeptide s receptor 0.0075 0.0118 0.011
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0393 0.1231 0.1041
Echinococcus multilocularis neuropeptide receptor 0.0075 0.0118 0.011
Echinococcus multilocularis g protein coupled receptor 0.0075 0.0118 0.011
Echinococcus granulosus orexin receptor type 2 0.0075 0.0118 0.011
Echinococcus granulosus neuropeptide receptor 0.0075 0.0118 0.011
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1104 0.372 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.2796 0.9645 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0075 0.0118 0.0122
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0393 0.1231 0.1224
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Brugia malayi hypothetical protein 0.0075 0.0118 0.0122
Echinococcus multilocularis rhodopsin orphan GPCR 0.0075 0.0118 0.011
Schistosoma mansoni amine GPCR 0.0075 0.0118 0.0118
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1104 0.372 0.372
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Onchocerca volvulus 0.0075 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Loa Loa (eye worm) hypothetical protein 0.0075 0.0118 0.0122
Schistosoma mansoni myosin xvIII 0.0075 0.0118 0.0118

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 44.6684 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.