Detailed information for compound 317637

Basic information

Technical information
  • TDR Targets ID: 317637
  • Name: 1-(4-acetyloxyphenyl)propyl acetate
  • MW: 236.264 | Formula: C13H16O4
  • H donors: 0 H acceptors: 2 LogP: 2.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ccc(cc1)OC(=O)C)OC(=O)C
  • InChi: 1S/C13H16O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h5-8,13H,4H2,1-3H3
  • InChiKey: UAWHZODFGAHJCC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-acetoxyphenyl)propyl acetate
  • acetic acid 1-(4-acetoxyphenyl)propyl ester
  • 1-(4-acetyloxyphenyl)propyl ethanoate

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0021 0.0022
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0069 0.0222 0.0368
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0075 0.0251 0.0296
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.007 0.0047
Onchocerca volvulus 0.0148 0.0628 0.5734
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0021 0.0022
Echinococcus granulosus neuropeptide s receptor 0.0976 0.4879 0.5808
Brugia malayi Cation transporter family protein 0.0148 0.0628 0.0745
Echinococcus multilocularis carbonic anhydrase 0.0809 0.4023 0.4789
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Mycobacterium ulcerans hypothetical protein 0.0035 0.0047 0.0022
Echinococcus multilocularis neuropeptide receptor A26 0.0976 0.4879 0.5808
Brugia malayi Pre-SET motif family protein 0.003 0.0021 0.0022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0059 0.0067
Onchocerca volvulus 0.003 0.0019 0.0153
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0075 0.0251 0.0296
Trypanosoma brucei carbonic anhydrase-like protein 0.1661 0.8399 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0047 0.0066
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0088 0.0318 0.0318
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0075 0.0251 0.0296
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0047 0.0022
Echinococcus multilocularis glycine receptor subunit beta 0.0075 0.0251 0.0296
Schistosoma mansoni aldehyde dehydrogenase 0.0122 0.0494 0.0585
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.003 0.0019 0.002
Entamoeba histolytica hypothetical protein 0.0045 0.0098 0.0072
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0019 0.002
Toxoplasma gondii hypothetical protein 0.0809 0.4023 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0047 0.002
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0075 0.0251 0.0296
Onchocerca volvulus 0.0148 0.0628 0.5734
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.0047
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0122 0.0494 0.0585
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0075 0.0251 0.0296
Schistosoma mansoni nAChR subunit 0.0075 0.0251 0.0296
Schistosoma mansoni neurotransmitter gated ion channel 0.003 0.0019 0.002
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.003 0.0019 0.002
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.007 0.0047
Echinococcus granulosus glycine receptor subunit beta 0.0075 0.0251 0.0296
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.003 0.0019 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0059 0.0067
Onchocerca volvulus 0.003 0.0019 0.0153
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Onchocerca volvulus 0.0075 0.0251 0.2282
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Onchocerca volvulus Putative sulfate transporter 0.0201 0.0898 0.8214
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.0047
Loa Loa (eye worm) ACC-1 protein 0.0075 0.0251 0.0251
Echinococcus granulosus glycine receptor subunit alpha 1 0.0075 0.0251 0.0296
Loa Loa (eye worm) hypothetical protein 0.0088 0.0318 0.0318
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.1023 0.2061
Schistosoma mansoni hypothetical protein 0.0512 0.2496 0.297
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.003 0.0019 0.002
Schistosoma mansoni carbonic anhydrase 0.1424 0.7182 0.855
Mycobacterium ulcerans carbonic anhydrase 0.1424 0.7182 0.9547
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1661 0.8399 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.0047
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0075 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.0098
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0021 0.0022
Echinococcus granulosus glycine receptor subunit alpha 1 0.0075 0.0251 0.0296
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0957 0.4781 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0045 0.0098 0.0114
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.0059 0.0059
Echinococcus multilocularis geminin 0.0512 0.2496 0.297
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0075 0.0251 0.0296
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0075 0.0251 0.0296
Onchocerca volvulus 0.0067 0.0208 0.1885
Schistosoma mansoni neurotransmitter gated ion channel 0.0045 0.0098 0.0114
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.004 0.007 0.0032
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.003 0.0019 0.002
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0075 0.0251 0.0296
Schistosoma mansoni carbonic anhydrase-related 0.0809 0.4023 0.4789
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0075 0.0251 0.0296
Trichomonas vaginalis conserved hypothetical protein 0.149 0.7521 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0069 0.0222 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.0098
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0047 0.0053
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0075 0.0251 0.0296
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1661 0.8399 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0021 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0208 0.0215
Echinococcus multilocularis nAChR subunit 0.0075 0.0251 0.0296
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0075 0.0251 0.0296
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0075 0.0251 0.0296
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0021
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0075 0.0251 0.0251
Plasmodium falciparum carbonic anhydrase 0.0809 0.4023 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0075 0.0251 0.0296
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.0098
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0075 0.0251 0.0296
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.003 0.0019 0.002
Brugia malayi follicle stimulating hormone receptor 0.0233 0.1062 0.1262
Entamoeba histolytica ankyrin, putative 0.0069 0.0222 0.0244
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0067 0.0208 0.0215
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0045 0.0098 0.0114
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0047 0.0053
Echinococcus granulosus nAChR subunit 0.0075 0.0251 0.0296
Brugia malayi hypothetical protein 0.003 0.0019 0.002
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0075 0.0251 0.0296
Mycobacterium ulcerans carbonic anhydrase 0.149 0.7521 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0021 0.0022
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0891 0.4442 0.9284
Echinococcus multilocularis carbonic anhydrase 0.0809 0.4023 0.4789
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0075 0.0251 0.0296
Chlamydia trachomatis sulfate transporter 0.0032 0.0031 0.5
Brugia malayi Pre-SET motif family protein 0.021 0.0944 0.1121
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1661 0.8399 1
Entamoeba histolytica acetyltransferase, putative 0.0069 0.0222 0.0244
Onchocerca volvulus 0.0045 0.0098 0.088
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0122 0.0494 0.0535
Schistosoma mansoni nAChR subunit 0.0075 0.0251 0.0296
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0047 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.1062 0.1062
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0809 0.4023 0.4789
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.0098
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0075 0.0251 0.0296
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0021 0.0022
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0075 0.0251 0.0296
Schistosoma mansoni hypothetical protein 0.0512 0.2496 0.297
Echinococcus multilocularis glycine receptor subunit beta 0.0075 0.0251 0.0296
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0075 0.0251 0.0296
Schistosoma mansoni nAChR subunit 0.0075 0.0251 0.0296
Schistosoma mansoni acetylcholine receptor-related 0.003 0.0019 0.002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.0494 0.0619
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0047 0.002
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0075 0.0251 0.0296
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0059 0.0067
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0075 0.0251 0.0296
Schistosoma mansoni aldehyde dehydrogenase 0.0122 0.0494 0.0585
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.0098
Brugia malayi excitatory GABA receptor EXP-1A 0.0075 0.0251 0.0296
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0075 0.0251 0.0296
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0075 0.0251 0.0296
Schistosoma mansoni neurotransmitter gated ion channel 0.003 0.0019 0.002
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0047 0.0053
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0075 0.0251 0.0296
Loa Loa (eye worm) GABA receptor subunit 0.0045 0.0098 0.0098
Echinococcus granulosus nAChR subunit 0.0045 0.0098 0.0114
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0765 0.3797 0.7922
Schistosoma mansoni nAChR subunit 0.0075 0.0251 0.0296
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0059 0.0067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0059 0.0067
Loa Loa (eye worm) hypothetical protein 0.0118 0.0475 0.0475
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0075 0.0251 0.0296
Brugia malayi beta-lactamase family protein 0.0035 0.0047 0.0053
Schistosoma mansoni hypothetical protein 0.0035 0.0047 0.0053
Echinococcus granulosus carbonic anhydrase II 0.1661 0.8399 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Mycobacterium leprae Probable transmembrane transport protein 0.0232 0.1058 0.1417
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0148 0.0628 0.0745
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.0944 0.0944
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0075 0.0251 0.0251
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0809 0.4023 0.4789
Schistosoma mansoni nAChR subunit 0.003 0.0019 0.002
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0075 0.0251 0.0296
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0075 0.0251 0.0296
Leishmania major carbonic anhydrase family protein, putative 0.1424 0.7182 0.8543
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0059 0.0067
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0148 0.0628 0.0745
Echinococcus multilocularis neuropeptide s receptor 0.0976 0.4879 0.5808
Schistosoma mansoni carbonic anhydrase 0.0809 0.4023 0.4789
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0075 0.0251 0.0296
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.0059 0.0067
Schistosoma mansoni hypothetical protein 0.0809 0.4023 0.4789
Loa Loa (eye worm) acetylcholine receptor protein 0.003 0.0019 0.0019
Onchocerca volvulus 0.0148 0.0628 0.5734
Onchocerca volvulus 0.003 0.0019 0.0153
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0232 0.1058 0.2135
Loa Loa (eye worm) hypothetical protein 0.0027 0.0002 0.0002
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0069 0.0222 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0809 0.4023 0.4789
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0047 0.0053
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.0098
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0075 0.0251 0.0296
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.0047
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0047 0.0022
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0032 0.0031 0.0024
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0809 0.4023 0.4023
Brugia malayi hypothetical protein 0.003 0.0019 0.002
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.003 0.0019 0.002
Mycobacterium tuberculosis Possible siderophore-binding protein 0.004 0.007 0.0048
Echinococcus multilocularis carbonic anhydrase II 0.1661 0.8399 1
Onchocerca volvulus 0.0201 0.0898 0.8214
Onchocerca volvulus 0.003 0.0021 0.0168
Onchocerca volvulus 0.0035 0.0047 0.0411
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1661 0.8399 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1661 0.8399 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0075 0.0251 0.0296
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1424 0.7182 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0047 0.0053
Leishmania major carbonic anhydrase-like protein 0.1661 0.8399 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Onchocerca volvulus 0.0035 0.0047 0.0411
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0019 0.002
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.003 0.0019 0.0019
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0075 0.0251 0.0251
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0047 0.0053
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0088 0.0321 0.0379
Schistosoma mansoni carbonic anhydrase-related 0.0809 0.4023 0.4789
Echinococcus granulosus carbonic anhydrase 0.0809 0.4023 0.4789
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1661 0.8399 0.8399
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0809 0.4023 0.4789
Loa Loa (eye worm) carbonic anhydrase 3 0.1661 0.8399 0.8399
Loa Loa (eye worm) hypothetical protein 0.0809 0.4023 0.4023
Echinococcus granulosus neuropeptide receptor A26 0.0976 0.4879 0.5808
Echinococcus granulosus carbonic anhydrase 0.0809 0.4023 0.4789
Brugia malayi Cation transporter family protein 0.0075 0.0251 0.0296
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0122 0.0494 0.0585
Plasmodium vivax sulfate transporter, putative 0.0032 0.0031 0.3701
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Brugia malayi Cation transporter family protein 0.0075 0.0251 0.0296
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0002 0.0002
Brugia malayi beta-lactamase 0.0035 0.0047 0.0053
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0075 0.0251 0.0296
Loa Loa (eye worm) hypothetical protein 0.0809 0.4023 0.4023
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.003 0.0019 0.002
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0047 0.0047
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0098 0.0114
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0045 0.0098 0.0114
Brugia malayi hypothetical protein 0.0035 0.0047 0.0053
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0059 0.0067
Schistosoma mansoni acetylcholine receptor subunit beta 0.003 0.0019 0.002
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0002 0.0002
Echinococcus granulosus glycine receptor subunit alpha 1 0.0075 0.0251 0.0296
Onchocerca volvulus Putative nachr subunit 0.0075 0.0251 0.2282
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0075 0.0251 0.0251
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.003 0.0019 0.002
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0019 0.002
Brugia malayi hypothetical protein 0.003 0.0019 0.002
Echinococcus multilocularis transcription factor eb 0.0088 0.0321 0.0379
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0075 0.0251 0.0296
Brugia malayi beta-lactamase family protein 0.0035 0.0047 0.0053
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0075 0.0251 0.0296
Onchocerca volvulus 0.0045 0.0098 0.088
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.0494 0.0619
Echinococcus granulosus carbonic anhydrase 0.0809 0.4023 0.4789
Onchocerca volvulus 0.0239 0.1093 1
Echinococcus granulosus transcription factor eb 0.0088 0.0321 0.0379
Leishmania major hypothetical protein, conserved 0.004 0.007 0.0027
Schistosoma mansoni nAChR subunit 0.0075 0.0251 0.0296
Schistosoma mansoni nAChR subunit 0.0075 0.0251 0.0296
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0047 0.0053
Mycobacterium leprae PROBABLE TRANSFERASE 0.0067 0.0208 0.0225
Echinococcus multilocularis nAChR subunit 0.0045 0.0098 0.0114
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0075 0.0251 0.0296
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0075 0.0251 0.0296
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.0494 0.0619
Loa Loa (eye worm) ACC-1 protein 0.0075 0.0251 0.0251
Trypanosoma brucei hypothetical protein, conserved 0.004 0.007 0.0047
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0075 0.0251 0.0251
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0047 0.002
Onchocerca volvulus 0.0075 0.0251 0.2282
Brugia malayi hypothetical protein 0.003 0.0019 0.002
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0122 0.0494 0.0944
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0075 0.0251 0.0296
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0098 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.149 0.7521 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Brugia malayi hypothetical protein 0.003 0.0019 0.002
Schistosoma mansoni carbonic anhydrase-related 0.0809 0.4023 0.4789
Echinococcus granulosus glycine receptor subunit beta 0.0075 0.0251 0.0296
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0075 0.0251 0.0296
Mycobacterium ulcerans transferase 0.0067 0.0208 0.0237
Onchocerca volvulus 0.0035 0.0047 0.0411
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0148 0.0628 0.0628
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0809 0.4023 0.4789
Schistosoma mansoni nAChR subunit 0.003 0.0019 0.002
Loa Loa (eye worm) LGC-31 protein 0.0075 0.0251 0.0251
Schistosoma mansoni nAChR subunit 0.0075 0.0251 0.0296
Toxoplasma gondii aldehyde dehydrogenase 0.0122 0.0494 0.1182
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0075 0.0251 0.0251
Echinococcus granulosus dynactin 5 p25 0.0069 0.0222 0.0261
Echinococcus granulosus geminin 0.0512 0.2496 0.297
Mycobacterium ulcerans beta-lactamase 0.0035 0.0047 0.0022
Mycobacterium ulcerans lipase LipD 0.0035 0.0047 0.0022
Mycobacterium ulcerans hypothetical protein 0.004 0.007 0.0053
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1661 0.8399 1
Entamoeba histolytica carbonic anhydrase, putative 0.1424 0.7182 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.0098 0.0114
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Loa Loa (eye worm) beta-lactamase 0.0035 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0148 0.0628 0.0628
Trichomonas vaginalis set domain proteins, putative 0.0239 0.1093 0.1399
Onchocerca volvulus 0.0075 0.0251 0.2282
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0021 0.0022
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0075 0.0251 0.0296
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0047 0.0053
Echinococcus multilocularis carbonic anhydrase 0.0809 0.4023 0.4789

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 10 uM Inhibitory concentration of compound on nitric oxide (NO) production in lipopolysaccharide activated mouse peritoneal macrophages ChEMBL. 15780639
IC50 (functional) = 10 uM Inhibitory concentration of compound on nitric oxide (NO) production in lipopolysaccharide activated mouse peritoneal macrophages ChEMBL. 15780639

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 15780639

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

1 literature reference was collected for this gene.

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