Detailed information for compound 1599394

Basic information

Technical information
  • TDR Targets ID: 1599394
  • Name: N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulf onylpiperazin-1-yl]acetamide
  • MW: 407.459 | Formula: C19H22FN3O4S
  • H donors: 1 H acceptors: 3 LogP: 1.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)Nc1ccc(cc1)F
  • InChi: 1S/C19H22FN3O4S/c1-27-17-6-8-18(9-7-17)28(25,26)23-12-10-22(11-13-23)14-19(24)21-16-4-2-15(20)3-5-16/h2-9H,10-14H2,1H3,(H,21,24)
  • InChiKey: UZPFRNIRVSGNLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]acetamide
  • N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanamide
  • IVK/0015920

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, nicotinic, alpha 3 (neuronal) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Putative nachr subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 Get druggable targets OG5_128160 All targets in OG5_128160
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Get druggable targets OG5_128160 All targets in OG5_128160
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 Get druggable targets OG5_128160 All targets in OG5_128160
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128160 All targets in OG5_128160
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Get druggable targets OG5_128160 All targets in OG5_128160
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cation transporter family protein cholinergic receptor, nicotinic, alpha 3 (neuronal) 505 aa 486 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0662 0.378 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1258 0.7224 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0305 0.0316
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0296 0.1666 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.004 0.004
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0235 0.1315 0.172
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0317 0.0012
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0015 0.004 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0235 0.1315 0.2905
Echinococcus multilocularis nAChR subunit 0.0015 0.004 0.004
Echinococcus granulosus glycine receptor subunit beta 0.0015 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Loa Loa (eye worm) ACC-1 protein 0.0015 0.004 0.0042
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0662 0.378 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0234 0.0234
Onchocerca volvulus 0.0033 0.0145 0.2713
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0061 0.0305 0.0305
Brugia malayi Cation transporter family protein 0.0015 0.004 0.0042
Leishmania major acetyl-CoA carboxylase, putative 0.1738 1 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0015 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0061 0.0305 0.0316
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1738 1 1
Schistosoma mansoni cpg binding protein 0.0033 0.0145 0.0145
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0235 0.1315 0.2905
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0235 0.1315 0.172
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1738 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.004 0.004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0234 0.0234
Treponema pallidum pyruvate carboxylase subunit B 0.0061 0.0305 0.5
Schistosoma mansoni pyruvate carboxylase 0.0662 0.378 0.378
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0015 0.004 0.0042
Echinococcus multilocularis glycine receptor subunit beta 0.0015 0.004 0.004
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.036 0.036
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0001 0.0001
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0015 0.004 0.004
Echinococcus multilocularis Biotin lipoyl attachment 0.0061 0.0305 0.0305
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0662 0.378 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0012 0.0012
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0015 0.004 0.004
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0015 0.004 0.004
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0061 0.0305 0.0305
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.004 0.0042
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0015 0.004 0.0042
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0235 0.1315 0.2905
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0015 0.004 0.004
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0012 0.0012
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0001 0.0001
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.004 0.004
Echinococcus granulosus nAChR subunit 0.0015 0.004 0.004
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0863 0.494 0.494
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0234 0.0234
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0015 0.004 0.004
Brugia malayi Cation transporter family protein 0.0015 0.004 0.0042
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0235 0.1315 0.1315
Loa Loa (eye worm) LGC-31 protein 0.0015 0.004 0.0042
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0662 0.378 0.5922
Toxoplasma gondii pyruvate carboxylase 0.0662 0.378 0.3584
Chlamydia trachomatis biotin carboxylase 0.0601 0.3428 1
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0061 0.0305 0.0305
Leishmania major carbamoyl-phosphate synthase, putative 0.015 0.0818 0.0529
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0234 0.0234
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.015 0.0818 0.0874
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0235 0.1315 0.2905
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0015 0.004 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Schistosoma mansoni nAChR subunit 0.0015 0.004 0.004
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1258 0.7224 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0012 0.0012
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.015 0.0818 0.1476
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0662 0.378 0.378
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0235 0.1315 0.1041
Onchocerca volvulus Putative nachr subunit 0.0101 0.0534 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0015 0.004 0.004
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0662 0.378 0.3584
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0015 0.004 0.004
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.004 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Loa Loa (eye worm) hypothetical protein 0.0101 0.0534 0.0554
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0234 0.0243
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0101 0.0534 0.0554
Schistosoma mansoni cpg binding protein 0.0035 0.0156 0.0156
Schistosoma mansoni nAChR subunit 0.0015 0.004 0.004
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0015 0.004 0.0042
Schistosoma mansoni hypothetical protein 0.0473 0.2686 0.2686
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0235 0.1315 0.3233
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0015 0.004 0.004
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0101 0.0534 0.0534
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.004 0.0042
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0061 0.0305 0.0316
Leishmania major carboxylase, putative 0.0662 0.378 0.3584
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0015 0.004 0.004
Schistosoma mansoni nAChR subunit 0.0015 0.004 0.004
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0015 0.004 0.004
Trypanosoma brucei acetyl-CoA carboxylase 0.1738 1 1
Brugia malayi Cation transporter family protein 0.0015 0.004 0.0042
Echinococcus multilocularis cpg binding protein 0.0035 0.0156 0.0156
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0015 0.004 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0662 0.378 0.378
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0235 0.1315 0.2905
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0101 0.0534 0.0534
Brugia malayi CXXC zinc finger family protein 0.0033 0.0145 0.015
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0235 0.1315 0.1041
Echinococcus granulosus cpg binding protein 0.0035 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0061 0.0305 0.0316
Brugia malayi excitatory GABA receptor EXP-1A 0.0015 0.004 0.0042
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0234 0.0243
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0235 0.1315 0.2905
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0234 0.0234
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0015 0.004 0.004
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0296 0.1666 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.004 0.0042
Onchocerca volvulus 0.0015 0.004 0.0751
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0235 0.1315 0.1041
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0061 0.0305 0.0305
Loa Loa (eye worm) histone methyltransferase 0.001 0.0012 0.0013
Schistosoma mansoni acetyl-CoA carboxylase 0.1738 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0015 0.004 0.004
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0001 0.0001
Schistosoma mansoni nAChR subunit 0.0015 0.004 0.004
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0061 0.0305 0.0305
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0662 0.378 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0001 0.0001
Plasmodium falciparum carbamoyl phosphate synthetase 0.015 0.0818 0.0742
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.004 0.0042
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0662 0.378 0.3584
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0235 0.1315 0.2905
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0235 0.1315 0.2905
Brugia malayi Carboxyl transferase domain containing protein 0.1677 0.9648 1
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0061 0.0305 0.0305
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0662 0.378 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.015 0.0818 0.0818
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0234 0.0234
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0061 0.0305 0.0316
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0662 0.378 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0101 0.0534 0.0534
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0015 0.004 0.0042
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0015 0.004 0.004
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0015 0.004 0.0042
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0235 0.1315 0.2905
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0101 0.0534 0.0534
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0015 0.004 0.0042
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0662 0.378 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0145 0.015
Echinococcus granulosus dnaJ subfamily B 0.0473 0.2686 0.2686
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.004 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0061 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.004 0.0042
Echinococcus multilocularis dnaJ subfamily B 0.0473 0.2686 0.2686
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0015 0.004 0.004
Trypanosoma cruzi acetyl-CoA carboxylase 0.1076 0.6173 1
Onchocerca volvulus 0.0015 0.004 0.0751
Schistosoma mansoni aspartate carbamoyltransferase 0.015 0.0818 0.0818
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0235 0.1315 0.172
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0235 0.1315 0.1315
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.004 0.004
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.015 0.0818 0.0874
Schistosoma mansoni nAChR subunit 0.0015 0.004 0.004
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0235 0.1315 0.1315
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1738 1 1
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.015 0.0818 0.0742
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0101 0.0534 0.0554
Schistosoma mansoni nAChR subunit 0.0015 0.004 0.004
Loa Loa (eye worm) ACC-1 protein 0.0015 0.004 0.0042
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1677 0.9648 1
Echinococcus granulosus glycine receptor subunit beta 0.0015 0.004 0.004
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.004 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Schistosoma mansoni nAChR subunit 0.0015 0.004 0.004
Trypanosoma brucei unspecified product 0.0435 0.2469 0.2232
Toxoplasma gondii carbamoylphosphate synthetase 0.015 0.0818 0.0529
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.015 0.0818 0.0529
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0662 0.378 0.5922
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.004 0.0042
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0662 0.378 0.378
Onchocerca volvulus 0.0015 0.004 0.0751
Schistosoma mansoni cpg binding protein 0.0035 0.0156 0.0156
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0235 0.1315 0.1041
Onchocerca volvulus 0.0015 0.004 0.0751
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0015 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0662 0.378 0.378
Onchocerca volvulus 0.0015 0.004 0.0751
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0235 0.1315 0.2905
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0235 0.1315 0.2905
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0101 0.0534 0.0534
Onchocerca volvulus 0.0015 0.004 0.0751
Echinococcus granulosus Biotin lipoyl attachment 0.0061 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0234 0.0234
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0662 0.378 0.3584
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.004 0.004
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.015 0.0818 0.1476
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0101 0.0534 0.0534
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0061 0.0305 0.0305
Mycobacterium ulcerans pyruvate carboxylase 0.0662 0.378 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0015 0.004 0.0042
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0235 0.1315 0.2905
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0015 0.004 0.0042
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0061 0.0305 0.0316
Schistosoma mansoni carbamoyl-phosphate synthetase 0.015 0.0818 0.0818

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17.1 uM Negative allosteric modulation of human nAChR alpha3beta4 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobilization measured every 1.5 sec by fluorescence analysis ChEMBL. 22060139
IC50 (binding) = 23.8 uM Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobilization measured every 1.5 sec by fluorescence analysis ChEMBL. 22060139

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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