Detailed information for compound 1242596

Basic information

Technical information
  • TDR Targets ID: 1242596
  • Name: N-[(4-dimethylaminophenyl)methyl]-N-(1,1-diox othiolan-3-yl)-2-(2-methylphenoxy)acetamide
  • MW: 416.534 | Formula: C22H28N2O4S
  • H donors: 0 H acceptors: 3 LogP: 2.98 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C)COc1ccccc1C
  • InChi: 1S/C22H28N2O4S/c1-17-6-4-5-7-21(17)28-15-22(25)24(20-12-13-29(26,27)16-20)14-18-8-10-19(11-9-18)23(2)3/h4-11,20H,12-16H2,1-3H3
  • InChiKey: HGLFRFOGEYXAQA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxo-3-thiolanyl)-2-(2-methylphenoxy)acetamide
  • N-(1,1-diketothiolan-3-yl)-N-(4-dimethylaminobenzyl)-2-(2-methylphenoxy)acetamide
  • N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)ethanamide
  • STOCK4S-16257
  • MLS000040415
  • SMR000043563

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1314 0.1371
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0136 0.1547 0.1614
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0136 0.1547 0.1614
Onchocerca volvulus 0.0105 0.1181 0.1046
Loa Loa (eye worm) hypothetical protein 0.0024 0.0199 0.0208
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0196 0.2274 0.2373
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0196 0.2274 0.2373
Loa Loa (eye worm) hypothetical protein 0.0105 0.1181 0.1232
Loa Loa (eye worm) hypothetical protein 0.0105 0.1181 0.1232
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0473 0.5639 0.5884
Loa Loa (eye worm) hypothetical protein 0.0473 0.5639 0.5884
Loa Loa (eye worm) hypothetical protein 0.0136 0.1547 0.1614
Echinococcus multilocularis sodium and chloride dependent glycine 0.0136 0.1547 0.1547
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0196 0.2274 0.2373
Schistosoma mansoni nAChR subunit 0.0196 0.2274 0.2373
Loa Loa (eye worm) hypothetical protein 0.0018 0.0124 0.013
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0196 0.2274 0.2373
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0196 0.2274 0.2373
Onchocerca volvulus 0.009 0.0997 0.0851
Loa Loa (eye worm) hypothetical protein 0.0136 0.1547 0.1614
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0196 0.2274 0.2274
Schistosoma mansoni neurotransmitter gated ion channel 0.0105 0.1181 0.1232
Echinococcus granulosus sodium and chloride dependent glycine 0.0136 0.1547 0.1614
Schistosoma mansoni sodium/chloride dependent transporter 0.0136 0.1547 0.1614
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0136 0.1547 0.1614
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.009 0.0997 0.0997
Echinococcus granulosus sodium and chloride dependent glycine 0.0136 0.1547 0.1614
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0199 0.0208
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0136 0.1547 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0799 0.9584 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0362 0.4292 0.4478
Loa Loa (eye worm) hypothetical protein 0.0105 0.1181 0.1232
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0217 0.2539 0.2493
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0136 0.1547 0.1614
Echinococcus granulosus glycine receptor subunit alpha 1 0.0196 0.2274 0.2373
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0136 0.1547 0.1547
Loa Loa (eye worm) ACC-1 protein 0.0196 0.2274 0.2373
Echinococcus multilocularis glycine receptor subunit beta 0.0196 0.2274 0.2274
Brugia malayi excitatory GABA receptor EXP-1A 0.0196 0.2274 0.2373
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.0136 0.1547 0.1614
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0473 0.5639 0.5884
Schistosoma mansoni nAChR subunit 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0105 0.1181 0.1232
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1314 0.1371
Brugia malayi hypothetical protein 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.009 0.0997 0.1041
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0196 0.2274 0.2274
Echinococcus multilocularis serotonin transporter 0.0799 0.9584 0.9584
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0196 0.2274 0.2373
Loa Loa (eye worm) LGC-31 protein 0.0196 0.2274 0.2373
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0136 0.1547 0.1614
Plasmodium vivax hypothetical protein, conserved 0.0136 0.1547 1
Schistosoma mansoni acetylcholine receptor subunit beta 0.009 0.0997 0.1041
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0362 0.4292 0.5
Onchocerca volvulus 0.0196 0.2274 0.2211
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0196 0.2274 0.2373
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0105 0.1181 0.1232
Echinococcus multilocularis sodium and chloride dependent glycine 0.0136 0.1547 0.1547
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0473 0.5639 0.5884
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0136 0.1547 0.1614
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0136 0.1547 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0196 0.2274 0.2373
Onchocerca volvulus 0.0196 0.2274 0.2211
Onchocerca volvulus 0.0136 0.1547 0.1436
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0793 0.0827
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0196 0.2274 0.2274
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0199 0.0208
Schistosoma mansoni nAChR subunit 0.0196 0.2274 0.2373
Onchocerca volvulus 0.0196 0.2274 0.2211
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0196 0.2274 0.2373
Loa Loa (eye worm) hypothetical protein 0.0185 0.2147 0.224
Loa Loa (eye worm) hypothetical protein 0.0105 0.1181 0.1232
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0196 0.2274 0.2274
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0136 0.1547 0.1614
Echinococcus multilocularis vesicular acetylcholine transporter 0.0217 0.2539 0.2539
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0196 0.2274 0.2373
Loa Loa (eye worm) hypothetical protein 0.0136 0.1547 0.1614
Brugia malayi Cation transporter family protein 0.0196 0.2274 0.2373
Echinococcus granulosus nAChR subunit 0.0105 0.1181 0.1232
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0196 0.2274 0.2373
Brugia malayi Cation transporter family protein 0.0196 0.2274 0.2373
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0136 0.1547 0.1614
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0199 0.1274
Loa Loa (eye worm) ACC-1 protein 0.0196 0.2274 0.2373
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0196 0.2274 0.2373
Onchocerca volvulus 0.0196 0.2274 0.2211
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0196 0.2274 0.2373
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0136 0.1547 0.1614
Onchocerca volvulus 0.0196 0.2274 0.2211
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0199 0.1274
Schistosoma mansoni acetylcholine receptor-related 0.009 0.0997 0.1041
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0196 0.2274 0.2373
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0136 0.1547 0.1614
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Onchocerca volvulus 0.0136 0.1547 0.1436
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Brugia malayi MH2 domain containing protein 0.0116 0.1314 0.1371
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0793 0.0827
Loa Loa (eye worm) hypothetical protein 0.0799 0.9584 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0793 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0793 0.0793
Echinococcus granulosus glycine receptor subunit alpha 1 0.0196 0.2274 0.2373
Plasmodium vivax amine transporter, putative 0.0136 0.1547 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0105 0.1181 0.1232
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.0105 0.1181 0.1232
Loa Loa (eye worm) serotonin transporter b 0.0799 0.9584 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0199 0.1117
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0124 0.0177
Echinococcus multilocularis nAChR subunit 0.0196 0.2274 0.2274
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0196 0.2274 0.2274
Trypanosoma brucei C-8 sterol isomerase, putative 0.0362 0.4292 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.1181 0.1232
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0196 0.2274 0.2373
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0473 0.5639 0.5639
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0473 0.5639 0.5639
Loa Loa (eye worm) hypothetical protein 0.0018 0.0124 0.013
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0196 0.2274 0.2373
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0793 0.0827
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0196 0.2274 0.2373
Onchocerca volvulus 0.0799 0.9584 1
Schistosoma mansoni nAChR subunit 0.0196 0.2274 0.2373
Schistosoma mansoni nAChR subunit 0.0196 0.2274 0.2373
Plasmodium falciparum amino acid transporter, putative 0.0136 0.1547 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0196 0.2274 0.2274
Loa Loa (eye worm) hypothetical protein 0.0362 0.4292 0.4478
Brugia malayi hypothetical protein 0.009 0.0997 0.1041
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0473 0.5639 0.5884
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.009 0.0997 0.1041
Loa Loa (eye worm) solute carrier family 6 member 4 0.0799 0.9584 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0199 0.1117
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0217 0.2539 0.2649
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0199 0.1117
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.009 0.0997 0.1041
Loa Loa (eye worm) norepinephrine transporter 0.0799 0.9584 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Brugia malayi hypothetical protein 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0799 0.9584 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0196 0.2274 0.2373
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0196 0.2274 0.2373
Echinococcus granulosus glycine receptor subunit beta 0.0196 0.2274 0.2373
Toxoplasma gondii hypothetical protein 0.0136 0.1547 1
Onchocerca volvulus 0.009 0.0997 0.0851
Loa Loa (eye worm) hypothetical protein 0.0799 0.9584 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0196 0.2274 0.2373
Schistosoma mansoni nAChR subunit 0.0196 0.2274 0.2373
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0199 0.5
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0199 0.5
Entamoeba histolytica hypothetical protein 0.0105 0.1181 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0199 0.1117
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0136 0.1547 0.1547
Loa Loa (eye worm) hypothetical protein 0.0024 0.0199 0.0208
Loa Loa (eye worm) hypothetical protein 0.0105 0.1181 0.1232
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0105 0.1181 0.1232
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.009 0.0997 0.1041
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0199 0.0208
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.009 0.0997 0.0997
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0793 0.145
Brugia malayi vesicular acetylcholine transporter unc-17 0.0217 0.2539 0.2649
Brugia malayi hypothetical protein 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0105 0.1181 0.1232
Loa Loa (eye worm) hypothetical protein 0.0024 0.0199 0.0208
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0105 0.1181 0.1232
Schistosoma mansoni neurotransmitter gated ion channel 0.009 0.0997 0.1041
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0473 0.5639 0.5639
Schistosoma mansoni nAChR subunit 0.0196 0.2274 0.2373
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0136 0.1547 0.1614
Loa Loa (eye worm) hypothetical protein 0.0136 0.1547 0.1614
Loa Loa (eye worm) hypothetical protein 0.0105 0.1181 0.1232
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0196 0.2274 0.2373
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0136 0.1547 0.1547
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0196 0.2274 0.2373
Loa Loa (eye worm) hypothetical protein 0.0018 0.0124 0.013
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0199 0.1117
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0793 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0196 0.2274 0.2373
Toxoplasma gondii hypothetical protein 0.0136 0.1547 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.1547 0.1614
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0196 0.2274 0.2373
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0196 0.2274 0.2373
Echinococcus multilocularis nAChR subunit 0.0105 0.1181 0.1181
Loa Loa (eye worm) hypothetical protein 0.0105 0.1181 0.1232
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Brugia malayi Cation transporter family protein 0.0196 0.2274 0.2373
Brugia malayi hypothetical protein 0.0136 0.1547 0.1614
Schistosoma mansoni nAChR subunit 0.009 0.0997 0.1041
Schistosoma mansoni sodium/chloride dependent transporter 0.0136 0.1547 0.1614
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0136 0.1547 0.1614
Loa Loa (eye worm) hypothetical protein 0.0799 0.9584 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Mycobacterium ulcerans hypothetical protein 0.0024 0.0199 0.1117
Echinococcus granulosus nAChR subunit 0.0196 0.2274 0.2373
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0136 0.1547 0.1614
Echinococcus granulosus glycine receptor subunit beta 0.0196 0.2274 0.2373
Leishmania major C-8 sterol isomerase-like protein 0.0362 0.4292 1
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.009 0.0997 0.1041
Loa Loa (eye worm) GABA receptor subunit 0.0105 0.1181 0.1232
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0793 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0793 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0136 0.1547 0.1614
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0136 0.1547 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0196 0.2274 0.2373
Onchocerca volvulus Putative nachr subunit 0.0473 0.5639 0.5797
Loa Loa (eye worm) hypothetical protein 0.0196 0.2274 0.2373
Echinococcus granulosus vesicular acetylcholine transporter 0.0217 0.2539 0.2649
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0196 0.2274 0.2373
Loa Loa (eye worm) acetylcholine receptor protein 0.009 0.0997 0.1041
Onchocerca volvulus 0.0136 0.1547 0.1436
Loa Loa (eye worm) hypothetical protein 0.0136 0.1547 0.1614
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0199 0.1117
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0199 0.1117
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0136 0.1547 0.1614
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0799 0.9584 1
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.009 0.0997 0.0997
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0473 0.5639 0.5884
Echinococcus multilocularis glycine receptor subunit beta 0.0196 0.2274 0.2274
Onchocerca volvulus 0.009 0.0997 0.0851
Onchocerca volvulus 0.0105 0.1181 0.1046
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0196 0.2274 0.2373
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0136 0.1547 0.1614
Brugia malayi hypothetical protein 0.009 0.0997 0.1041
Loa Loa (eye worm) hypothetical protein 0.0018 0.0124 0.013
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0136 0.1547 0.1614
Onchocerca volvulus 0.0196 0.2274 0.2211
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0196 0.2274 0.2373
Schistosoma mansoni nAChR subunit 0.0196 0.2274 0.2373
Schistosoma mansoni neurotransmitter gated ion channel 0.009 0.0997 0.1041
Schistosoma mansoni sodium/chloride dependent transporter 0.0799 0.9584 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0124 0.013
Plasmodium falciparum transporter, putative 0.0136 0.1547 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0997 0.1041
Echinococcus granulosus serotonin transporter 0.0799 0.9584 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0196 0.2274 0.2373
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0196 0.2274 0.2274
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0136 0.1547 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.009 0.0997 0.1041
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0196 0.2274 0.2373
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0196 0.2274 0.2373
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0136 0.1547 0.1614
Schistosoma mansoni vesicular acetylcholine transporter 0.0217 0.2539 0.2649
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0136 0.1547 0.1614

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) = 39.8107 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
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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