Detailed information for compound 1206081

Basic information

Technical information
  • TDR Targets ID: 1206081
  • Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-ox o-4,6,7,8-tetrahydrochromene-3-carbonitrile
  • MW: 389.2 | Formula: C17H13BrN2O4
  • H donors: 1 H acceptors: 2 LogP: 2.5 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)OC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2
  • InChi: 1S/C17H13BrN2O4/c18-10-5-14-13(22-7-23-14)4-8(10)15-9(6-19)17(20)24-12-3-1-2-11(21)16(12)15/h4-5,15H,1-3,7,20H2
  • InChiKey: CPLNBMUYDFUCTH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile
  • Oprea1_868017
  • ASN 01280163
  • Oprea1_111132
  • 2-Amino-4-(6-bromo-benzo[1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
  • MLS001207930
  • SMR000503231

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus fmrfamide receptor 0.0029 0.0185 0.0185
Onchocerca volvulus 0.0029 0.0185 0.0084
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0029 0.0185 0.0084
Onchocerca volvulus 0.0029 0.0185 0.0084
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.002 0.0042
Brugia malayi Calcitonin receptor-like protein seb-1 0.0171 0.281 0.6932
Echinococcus granulosus tumor protein p63 0.0381 0.6698 0.6698
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0618 0.1943
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) G-protein coupled receptor 0.0029 0.0185 0.0416
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0029 0.0185 0.0582
Brugia malayi beta-lactamase family protein 0.0043 0.0447 0.0779
Echinococcus granulosus rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Schistosoma mansoni neuropeptide f receptor 76f 0.0029 0.0185 0.0582
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0029 0.0185 0.0185
Echinococcus multilocularis serotonin receptor 0.0029 0.0185 0.0185
Brugia malayi Dopamine receptor protein 2 0.0029 0.0185 0.0097
Echinococcus multilocularis neuropeptides capa receptor 0.0029 0.0185 0.0185
Plasmodium falciparum acyl-CoA synthetase 0.002 0.002 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0265 0.0265
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0211 0.3548 1
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0029 0.0185 0.0185
Brugia malayi Melatonin receptor type 1A 0.0029 0.0185 0.0097
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0029 0.0185 0.0582
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus granulosus neuropeptides capa receptor 0.0029 0.0185 0.0185
Echinococcus multilocularis GPCR, family 2 0.0054 0.0644 0.0644
Onchocerca volvulus 0.0043 0.0447 0.0674
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.002 0.0056
Leishmania major hypothetical protein, conserved 0.0065 0.0846 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0265 0.0619
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0148 0.0417
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0447 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0019 0 0.5
Onchocerca volvulus 0.0029 0.0185 0.0084
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097
Onchocerca volvulus 0.0043 0.0447 0.0674
Echinococcus multilocularis neuropeptide receptor 0.0029 0.0185 0.0185
Brugia malayi larval opioid receptor 0.0029 0.0185 0.0097
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0148 0.0309
Onchocerca volvulus 0.0174 0.2866 0.612
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Schistosoma mansoni histamine h1 receptor 0.0029 0.0185 0.0582
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Schistosoma mansoni biogenic amine receptor 0.0029 0.0185 0.0582
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0029 0.0185 0.0582
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0447 0.126
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0029 0.0185 0.0185
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0029 0.0185 0.0582
Echinococcus granulosus muscleblind protein 0.0168 0.2762 0.2762
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0065 0.0846 0.1844
Echinococcus granulosus g protein coupled receptor 0.0029 0.0185 0.0185
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0211 0.3548 0.7732
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0618 0.0618
Echinococcus granulosus allatostatin A receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.0644 0.1574
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0447 0.0779
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.0168 0.2762 0.6909
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0043 0.0447 0.1076
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0447 0.0447
Onchocerca volvulus 0.0211 0.3548 0.7657
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0618 0.1507
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0618 0.0618
Loa Loa (eye worm) hypothetical protein 0.0138 0.2201 0.5495
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0618 0.1224
Brugia malayi sulfakinin receptor protein 0.0029 0.0185 0.0097
Schistosoma mansoni opsin-like receptor 0.0029 0.0185 0.0582
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0029 0.0185 0.0582
Onchocerca volvulus 0.0043 0.0447 0.0674
Echinococcus granulosus g protein coupled receptor 0.0029 0.0185 0.0185
Brugia malayi Serotonin receptor 0.0029 0.0185 0.0097
Echinococcus granulosus g-protein coupled receptor 0.0029 0.0185 0.0185
Echinococcus multilocularis neuropeptides capa receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0029 0.0185 0.0097
Onchocerca volvulus 0.0029 0.0185 0.0084
Loa Loa (eye worm) hypothetical protein 0.0043 0.0447 0.1076
Loa Loa (eye worm) hypothetical protein 0.0117 0.1808 0.4505
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0029 0.0185 0.0097
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0265 0.0265
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0447 0.0974
Echinococcus multilocularis fmrfamide receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Brugia malayi follicle stimulating hormone receptor 0.0029 0.0185 0.0097
Brugia malayi RE15519p 0.0029 0.0185 0.0097
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0029 0.0185 0.0416
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0029 0.0185 0.0582
Brugia malayi beta-lactamase 0.0043 0.0447 0.0779
Brugia malayi Serotonin receptor 0.0029 0.0185 0.0097
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0148 0.0417
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0447 0.1406
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0618 0.0618
Onchocerca volvulus 0.0029 0.0185 0.0084
Echinococcus multilocularis neuropeptide receptor 0.0029 0.0185 0.0185
Echinococcus granulosus neuropeptides capa receptor 0.0029 0.0185 0.0185
Echinococcus granulosus tm gpcr rhodopsin 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus multilocularis neuropeptide Y receptor 0.0029 0.0185 0.0185
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0029 0.0185 0.0185
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097
Schistosoma mansoni biogenic amine receptor 0.0029 0.0185 0.0582
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0447 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0618 0.0618
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0211 0.3548 0.8891
Onchocerca volvulus 0.0029 0.0185 0.0084
Echinococcus multilocularis rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0029 0.0185 0.0416
Schistosoma mansoni hypothetical protein 0.0191 0.3181 1
Schistosoma mansoni amine GPCR 0.0029 0.0185 0.0582
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0029 0.0185 0.0582
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0644 0.0644
Schistosoma mansoni hypothetical protein 0.0191 0.3181 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0029 0.0185 0.0185
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0029 0.0185 0.0582
Plasmodium vivax SET domain protein, putative 0.0034 0.0265 0.5747
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0243 0.0243
Echinococcus granulosus rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Schistosoma mansoni hypothetical protein 0.0054 0.0644 0.2026
Schistosoma mansoni hypothetical protein 0.0117 0.1808 0.5684
Loa Loa (eye worm) neuropeptide F receptor 0.0029 0.0185 0.0416
Schistosoma mansoni growth hormone secretagogue receptor 0.0029 0.0185 0.0582
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0065 0.0846 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097
Onchocerca volvulus Huntingtin homolog 0.0138 0.2201 0.4622
Schistosoma mansoni myosin xvIII 0.0029 0.0185 0.0582
Onchocerca volvulus 0.0034 0.0265 0.0265
Brugia malayi hypothetical protein 0.0174 0.2866 0.7077
Echinococcus granulosus peptide allatostatin:somatostatin 0.0029 0.0185 0.0185
Schistosoma mansoni neuropeptide F-like receptor 0.0029 0.0185 0.0582
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0265 0.0835
Brugia malayi Dopamine receptor 0.0029 0.0185 0.0097
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus multilocularis dro:myosuppressin receptor 0.0029 0.0185 0.0185
Echinococcus multilocularis G-protein coupled receptor, putative 0.0029 0.0185 0.0185
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0029 0.0185 0.0582
Echinococcus granulosus biogenic amine 5HT receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus multilocularis serotonin receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0027 0.0148 0.0322
Brugia malayi Pre-SET motif family protein 0.0034 0.0265 0.0306
Trichomonas vaginalis esterase, putative 0.0043 0.0447 0.0974
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0447 0.0974
Schistosoma mansoni hypothetical protein 0.0041 0.0393 0.1237
Echinococcus granulosus rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Echinococcus granulosus rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.3988 1
Mycobacterium ulcerans hypothetical protein 0.0027 0.0148 0.0417
Onchocerca volvulus 0.0029 0.0185 0.0084
Echinococcus multilocularis tumor protein p63 0.0381 0.6698 0.6698
Onchocerca volvulus 0.0029 0.0185 0.0084
Brugia malayi G protein-coupled receptor F59B2.13 0.0029 0.0185 0.0097
Echinococcus granulosus orexin receptor type 2 0.0029 0.0185 0.0185
Echinococcus granulosus biogenic amine 5HT receptor 0.0029 0.0185 0.0185
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4785 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0148 0.0417
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0171 0.281 0.7031
Schistosoma mansoni neuropeptide receptor 0.0029 0.0185 0.0582
Onchocerca volvulus 0.0029 0.0185 0.0084
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0065 0.0846 0.1844
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0447 0.1076
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0029 0.0185 0.0582
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0211 0.3548 0.7732
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0447 0.0974
Echinococcus granulosus g protein coupled receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus granulosus rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0056 0.0675 0.165
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0029 0.0185 0.0185
Echinococcus multilocularis geminin 0.0191 0.3181 0.3181
Echinococcus multilocularis rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0265 0.0835
Schistosoma mansoni hypothetical protein 0.0054 0.0644 0.2026
Echinococcus multilocularis g-protein coupled receptor 0.0029 0.0185 0.0185
Schistosoma mansoni biogenic amine (5HT) receptor 0.0029 0.0185 0.0582
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0447 0.0934
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0211 0.3548 0.7732
Loa Loa (eye worm) hypothetical protein 0.0043 0.0447 0.1076
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0029 0.0185 0.0097
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0029 0.0185 0.0582
Echinococcus granulosus tm gpcr rhodopsin 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0029 0.0185 0.0185
Schistosoma mansoni alpha-1 adrenergic receptor 0.0029 0.0185 0.0582
Echinococcus granulosus G protein coupled receptor 139 0.0029 0.0185 0.0185
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0029 0.0185 0.0097
Loa Loa (eye worm) hypothetical protein 0.0168 0.2762 0.6909
Echinococcus granulosus neuropeptide receptor 0.0029 0.0185 0.0185
Brugia malayi ORL1-like opioid receptor 0.0029 0.0185 0.0097
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0447 0.0934
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0029 0.0185 0.0185
Echinococcus granulosus neuropeptide Y receptor 0.0029 0.0185 0.0185
Brugia malayi putative neuropeptide receptor NPR1 0.0029 0.0185 0.0097
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0029 0.0185 0.0185
Echinococcus multilocularis fmrfamide receptor 0.0029 0.0185 0.0185
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0148 0.0417
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0029 0.0185 0.0582
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0447 0.0934
Schistosoma mansoni neuropeptide receptor 0.0029 0.0185 0.0582
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0029 0.0185 0.0582
Brugia malayi Muscleblind-like protein 0.0168 0.2762 0.6806
Echinococcus granulosus neuropeptide receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.2135 0.533
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Brugia malayi neuropeptide F receptor 0.0029 0.0185 0.0097
Echinococcus granulosus sex peptide receptor 0.0029 0.0185 0.0185
Schistosoma mansoni hypothetical protein 0.0029 0.0185 0.0582
Echinococcus granulosus alpha 1A adrenergic receptor 0.0029 0.0185 0.0185
Echinococcus multilocularis neuropeptide receptor A26 0.0559 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0171 0.281 0.7031
Echinococcus granulosus hypothetical protein 0.0029 0.0185 0.0185
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0675 0.2122
Schistosoma mansoni amine GPCR 0.0029 0.0185 0.0582
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0029 0.0185 0.0582
Schistosoma mansoni amine GPCR 0.0029 0.0185 0.0582
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.0043 0.0447 0.1076
Mycobacterium leprae Probable lipase LipE 0.0043 0.0447 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0447 0.0934
Toxoplasma gondii ABC1 family protein 0.0043 0.0447 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.0644 0.1293
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0029 0.0185 0.0185
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0148 0.3307
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0211 0.3548 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0171 0.281 0.6932
Treponema pallidum bacterioferrin (TpF1) 0.0019 0 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0029 0.0185 0.0097
Brugia malayi hypothetical protein 0.0138 0.2201 0.5345
Brugia malayi neuropeptide F receptor 0.0029 0.0185 0.0097
Schistosoma mansoni biogenic amine receptor 0.0029 0.0185 0.0582
Schistosoma mansoni hypothetical protein 0.0029 0.0185 0.0582
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0029 0.0185 0.0416
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0447 0.1406
Echinococcus multilocularis orexin receptor type 2 0.0029 0.0185 0.0185
Schistosoma mansoni hypothetical protein 0.0054 0.0644 0.2026
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0148 0.0417
Brugia malayi GnHR receptor homolog 0.0029 0.0185 0.0097
Echinococcus granulosus serotonin receptor 0.0029 0.0185 0.0185
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0029 0.0185 0.0582
Schistosoma mansoni adenoreceptor 0.0029 0.0185 0.0582
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0029 0.0185 0.0582
Schistosoma mansoni hypothetical protein 0.0054 0.0644 0.2026
Echinococcus granulosus GPCR family 2 0.0054 0.0644 0.0644
Echinococcus multilocularis rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.002 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.1808 0.4322
Echinococcus granulosus neuropeptide receptor A26 0.0559 1 1
Trichomonas vaginalis set domain proteins, putative 0.0267 0.4589 1
Echinococcus granulosus somatostatin receptor 0.0029 0.0185 0.0185
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0029 0.0185 0.0582
Mycobacterium ulcerans beta-lactamase 0.0043 0.0447 0.126
Loa Loa (eye worm) G-protein coupled receptor 0.0029 0.0185 0.0416
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0148 0.0417
Loa Loa (eye worm) hypothetical protein 0.0027 0.0148 0.0322
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0148 0.3307
Brugia malayi putative neuropeptide receptor 0.0029 0.0185 0.0097
Echinococcus granulosus dro:myosuppressin receptor 0.0029 0.0185 0.0185
Echinococcus multilocularis rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Schistosoma mansoni neuropeptide receptor 0.0029 0.0185 0.0582
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Onchocerca volvulus 0.0029 0.0185 0.0084
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0211 0.3548 0.7732
Loa Loa (eye worm) beta-lactamase 0.0043 0.0447 0.1076
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0211 0.3548 0.7732
Mycobacterium ulcerans lipase LipD 0.0043 0.0447 0.126
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Schistosoma mansoni amine GPCR 0.0029 0.0185 0.0582
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0846 1
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0846 1
Echinococcus multilocularis g protein coupled receptor 0.0029 0.0185 0.0185
Brugia malayi G-protein coupled receptor 0.0029 0.0185 0.0097
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0211 0.3548 0.8854
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0393 0.1237
Loa Loa (eye worm) hypothetical protein 0.0138 0.2201 0.5495
Schistosoma mansoni hypothetical protein 0.0029 0.0185 0.0582
Leishmania major hypothetical protein, conserved 0.0043 0.0447 0.4285
Entamoeba histolytica hypothetical protein 0.0041 0.0393 0.0722
Mycobacterium ulcerans hypothetical protein 0.0043 0.0447 0.126
Brugia malayi beta-lactamase family protein 0.0043 0.0447 0.0779
Schistosoma mansoni biogenic amine (5HT) receptor 0.0029 0.0185 0.0582
Onchocerca volvulus 0.0029 0.0185 0.0084
Schistosoma mansoni amine GPCR 0.0029 0.0185 0.0582
Onchocerca volvulus 0.0056 0.0675 0.1187
Echinococcus granulosus rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus multilocularis neuropeptide FF receptor 2 0.0029 0.0185 0.0185
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0148 0.0309
Onchocerca volvulus 0.0029 0.0185 0.0084
Loa Loa (eye worm) hypothetical protein 0.0043 0.0447 0.1076
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0054 0.0644 0.1574
Echinococcus multilocularis allatostatin A receptor 0.0029 0.0185 0.0185
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0644 0.0644
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0265 0.0835
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0146 0.2344 0.4899
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0211 0.3548 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) melatonin receptor type 1A 0.0029 0.0185 0.0416
Brugia malayi Latrophilin receptor protein 2 0.0054 0.0644 0.1293
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0029 0.0185 0.0185
Loa Loa (eye worm) neuropeptide F receptor 0.0029 0.0185 0.0416
Loa Loa (eye worm) TYRA-2 protein 0.0029 0.0185 0.0416
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus multilocularis rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Brugia malayi G protein-coupled receptor 0.0029 0.0185 0.0097
Echinococcus multilocularis rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0447 0.0447
Brugia malayi G-protein coupled receptor 0.0029 0.0185 0.0097
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0447 0.0934
Mycobacterium tuberculosis Conserved protein 0.0043 0.0447 0.0934
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0211 0.3548 0.5
Brugia malayi Pre-SET motif family protein 0.0235 0.3988 1
Onchocerca volvulus 0.0029 0.0185 0.0084
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0447 0.0974
Echinococcus multilocularis somatostatin receptor 0.0029 0.0185 0.0185
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0029 0.0185 0.0185
Onchocerca volvulus 0.0029 0.0185 0.0084
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0029 0.0185 0.0185
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0618 0.1943
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0029 0.0185 0.0582
Echinococcus multilocularis muscleblind protein 1 0.0168 0.2762 0.2762
Echinococcus multilocularis g protein coupled receptor 0.0029 0.0185 0.0185
Brugia malayi AKH receptor 0.0029 0.0185 0.0097
Schistosoma mansoni neuropeptide receptor 0.0029 0.0185 0.0582
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Mycobacterium tuberculosis Conserved protein 0.0043 0.0447 0.0934
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Onchocerca volvulus 0.0029 0.0185 0.0084
Loa Loa (eye worm) hypothetical protein 0.0027 0.0148 0.0322
Brugia malayi Dopamine receptor protein 1 0.0029 0.0185 0.0097
Echinococcus multilocularis muscleblind protein 0.0168 0.2762 0.2762
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0447 0.126
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0211 0.3548 0.7732
Echinococcus granulosus 7tm_1 domain containing protein 0.0029 0.0185 0.0185
Echinococcus granulosus 7TM GPCR rhodopsin 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Entamoeba histolytica hypothetical protein 0.0041 0.0393 0.0722
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0618 0.1943
Brugia malayi hypothetical protein 0.0041 0.0393 0.0639
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0148 0.0417
Echinococcus multilocularis rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0447 0.0934
Echinococcus granulosus tachykinin peptides receptor 99D 0.0029 0.0185 0.0185
Onchocerca volvulus Neuropeptide F receptor homolog 0.0029 0.0185 0.0084
Echinococcus granulosus tm gpcr rhodopsin 0.0029 0.0185 0.0185
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.2135 0.533
Echinococcus multilocularis neuropeptide s receptor 0.0559 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0029 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Brugia malayi MH2 domain containing protein 0.0135 0.2135 0.5175
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0029 0.0185 0.0582
Mycobacterium tuberculosis Conserved protein 0.0043 0.0447 0.0934
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0393 0.0393
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0029 0.0185 0.0582
Echinococcus granulosus geminin 0.0191 0.3181 0.3181
Onchocerca volvulus 0.0029 0.0185 0.0084
Schistosoma mansoni opsin-like receptor 0.0029 0.0185 0.0582
Loa Loa (eye worm) hypothetical protein 0.0043 0.0447 0.1076
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0029 0.0185 0.0097
Echinococcus multilocularis neuropeptide Y receptor 0.0029 0.0185 0.0185
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0265 0.0835
Schistosoma mansoni opsin-like receptor 0.0029 0.0185 0.0582
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Onchocerca volvulus 0.0029 0.0185 0.0084
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0416
Entamoeba histolytica hypothetical protein 0.0041 0.0393 0.0722
Echinococcus granulosus rhodopsin orphan GPCR 0.0029 0.0185 0.0185
Echinococcus multilocularis sex peptide receptor 0.0029 0.0185 0.0185
Echinococcus granulosus neuropeptide FF receptor 2 0.0029 0.0185 0.0185
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0393 0.0393
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0447 0.0974
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0029 0.0185 0.0582
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0029 0.0185 0.0185
Schistosoma mansoni hypothetical protein 0.0029 0.0185 0.0582
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0029 0.0185 0.0185
Echinococcus multilocularis g protein coupled receptor 0.0029 0.0185 0.0185
Schistosoma mansoni neuropeptide F-like receptor 0.0029 0.0185 0.0582
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0029 0.0185 0.0582
Onchocerca volvulus 0.0267 0.4589 1
Onchocerca volvulus Huntingtin homolog 0.0138 0.2201 0.4622
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0447 0.0934
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0029 0.0185 0.0185
Echinococcus granulosus neuropeptide Y receptor 0.0029 0.0185 0.0185
Entamoeba histolytica hypothetical protein 0.0041 0.0393 0.0722
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097
Loa Loa (eye worm) hypothetical protein 0.0174 0.2866 0.7171
Brugia malayi hypothetical protein 0.0029 0.0185 0.0097

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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