Detailed information for compound 1705494

Basic information

Technical information
  • TDR Targets ID: 1705494
  • Name: O3-[2-(cyclooctylamino)-2-oxoethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate
  • MW: 392.403 | Formula: C19H24N2O7
  • H donors: 1 H acceptors: 5 LogP: 3.7 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCC(=O)NC1CCCCCCC1
  • InChi: 1S/C19H24N2O7/c1-27-18(23)13-9-14(11-16(10-13)21(25)26)19(24)28-12-17(22)20-15-7-5-3-2-4-6-8-15/h9-11,15H,2-8,12H2,1H3,(H,20,22)
  • InChiKey: AURRMBQYVOKYDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • O3-[2-(cyclooctylamino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate
  • 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(cyclooctylamino)-2-oxoethyl] O1-methyl ester
  • 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(cyclooctylamino)-2-keto-ethyl] O1-methyl ester
  • ZINC06084125
  • T5348545

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
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
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7476 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4361 0.5834
Onchocerca volvulus 0.0019 0.1985 0.1958
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0019 0.1985 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.4168 0.5576
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0019 0.1985 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.1985 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.001 0.0176 0.0176
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.1985 1
Brugia malayi Cation transporter family protein 0.0019 0.1985 0.1985
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.2228 0.2981
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0019 0.1985 0.2136
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0019 0.1985 0.1985
Schistosoma mansoni nAChR subunit 0.0019 0.1985 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.1985 0.1985
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0019 0.1985 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.001 0.0176 0.0176
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.1985 0.1985
Echinococcus granulosus nAChR subunit 0.0019 0.1985 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.3948 0.3948
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.1985 1
Mycobacterium ulcerans thioesterase 0.0025 0.3311 0.443
Onchocerca volvulus 0.0019 0.1985 0.1958
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4361 0.5834
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.4752 0.6337
Onchocerca volvulus 0.0052 0.9025 0.9577
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.1985 0.1985
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.3311 0.443
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.001 0.0176 0.0176
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0019 0.1985 0.2136
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0019 0.1985 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.3131 0.4155
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4361 0.5834
Onchocerca volvulus 0.0019 0.1985 0.1958
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.1985 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.1985 0.1985
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.1985 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.1985 1
Mycobacterium ulcerans polyketide synthase 0.0032 0.4752 0.6357
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Onchocerca volvulus 0.0019 0.1985 0.1958
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0019 0.1985 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.1985 1
Brugia malayi Cation transporter family protein 0.0019 0.1985 0.1985
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0019 0.1985 0.2136
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.1985 1
Schistosoma mansoni nAChR subunit 0.0019 0.1985 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.1985 0.1985
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.3311 0.4398
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0019 0.1985 0.1985
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0019 0.1985 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0019 0.1985 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4361 0.5834
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.1985 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0019 0.1985 1
Onchocerca volvulus 0.0028 0.3948 0.4082
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.1985 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0019 0.1985 0.1985
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2547 0.3708
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0229 0.0306
Onchocerca volvulus 0.0019 0.1985 0.1958
Loa Loa (eye worm) acyl carrier protein 0.0014 0.096 0.0925
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0009 0.0042 0.0056
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.4752 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Schistosoma mansoni nAChR subunit 0.0019 0.1985 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.1985 0.1985
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0019 0.1985 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.3131 0.4188
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.1985 0.1985
Schistosoma mansoni nAChR subunit 0.0019 0.1985 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.4752 0.6337
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4361 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.4168 0.5576
Mycobacterium ulcerans fatty acid synthase Fas 0.0009 0.0042 0.0056
Loa Loa (eye worm) LGC-31 protein 0.0019 0.1985 0.2136
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.1985 1
Schistosoma mansoni nAChR subunit 0.0019 0.1985 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7476 1
Mycobacterium ulcerans thioesterase TesA 0.0025 0.3311 0.443
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.1985 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4361 0.4361
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Schistosoma mansoni nAChR subunit 0.0019 0.1985 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2588 0.3461
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4752 0.6357
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.2228 0.2941
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0019 0.1985 0.2136
Echinococcus multilocularis nAChR subunit 0.0019 0.1985 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0019 0.1985 0.1985
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7476 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3948 0.4454
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.061 0.0817
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.001 0.0176 0.0176
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3948 0.528
Loa Loa (eye worm) ACC-1 protein 0.0019 0.1985 0.2136
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.1985 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0019 0.1985 0.2136
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.4752 0.6357
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0019 0.1985 0.1985
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0019 0.1985 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.1985 0.1985
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Loa Loa (eye worm) hypothetical protein 0.0017 0.1592 0.1672
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.3214 0.4299
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.1985 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4361 0.5834
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0019 0.1985 0.1985
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1644 0.2199
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.9416 1
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7476 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0019 0.1985 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.4752 0.6357
Entamoeba histolytica hypothetical protein 0.001 0.0176 0.5
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4752 0.6357
Brugia malayi Cation transporter family protein 0.0019 0.1985 0.1985
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.1985 0.1985
Onchocerca volvulus Putative nachr subunit 0.0019 0.1985 0.1958
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0019 0.1985 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4361 0.5834
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0019 0.1985 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.1985 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0019 0.1985 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4361 0.581
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.1985 1
Schistosoma mansoni nAChR subunit 0.0019 0.1985 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0019 0.1985 0.1985
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0019 0.1985 0.1985
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.2228 0.2981
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.4752 0.6357
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Onchocerca volvulus 0.0019 0.1985 0.1958
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.3131 0.4188
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.2149 0.2574
Loa Loa (eye worm) hypothetical protein 0.0019 0.1985 0.2136
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0019 0.1985 0.2136
Loa Loa (eye worm) ACC-1 protein 0.0019 0.1985 0.2136
Mycobacterium ulcerans polyketide synthase 0.003 0.4361 0.5834
Loa Loa (eye worm) hypothetical protein 0.0051 0.8643 1
Loa Loa (eye worm) fatty acid synthase 0.003 0.4277 0.4844
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4361 0.581
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.4752 0.6337
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.1985 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 7.09 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 8 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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