Detailed information for compound 179783

Basic information

Technical information
  • TDR Targets ID: 179783
  • Name: [(1S)-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: CC[C@@H](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/t13-/m0/s1
  • InChiKey: UAWHZODFGAHJCC-ZDUSSCGKSA-N  


Substructure search Similarity search

Network

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Synonyms

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

Activities

Activity type Activity value Assay description Source Reference
Activity = 94.5 % Cytotoxicity against theophylline-stimulated mouse B16-4A5 cells assessed as cell viability at 100 uM after 72 hrs by MTT assay relative to control LITERATURE. 27756508
Activity = 96.5 % Cytotoxicity against theophylline-stimulated mouse B16-4A5 cells assessed as cell viability at 30 uM after 72 hrs by MTT assay relative to control LITERATURE. 27756508
Activity = 105 % Cytotoxicity against theophylline-stimulated mouse B16-4A5 cells assessed as cell viability at 10 uM after 72 hrs by MTT assay relative to control LITERATURE. 27756508
Activity = 105.9 % Cytotoxicity against theophylline-stimulated mouse B16-4A5 cells assessed as cell viability at 3 uM after 72 hrs by MTT assay relative to control LITERATURE. 27756508
IC50 (functional) = 60 uM Inhibitory activity of the compound against release of beta-hexosaminidase from RBL-2H3 cells ChEMBL. 12951092

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

1 literature reference was collected for this gene.

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