Detailed information for compound 1399127

Basic information

Technical information
  • TDR Targets ID: 1399127
  • Name: (4-tert-butylphenyl)methyl 2-(2,4-dioxo-1,3-d iazaspiro[4.4]nonan-3-yl)acetate
  • MW: 358.431 | Formula: C20H26N2O4
  • H donors: 1 H acceptors: 3 LogP: 3.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)NC2(C1=O)CCCC2)OCc1ccc(cc1)C(C)(C)C
  • InChi: 1S/C20H26N2O4/c1-19(2,3)15-8-6-14(7-9-15)13-26-16(23)12-22-17(24)20(21-18(22)25)10-4-5-11-20/h6-9H,4-5,10-13H2,1-3H3,(H,21,25)
  • InChiKey: MIVHFKNBSMLIBW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid (4-tert-butylphenyl)methyl ester
  • 2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid (4-tert-butylbenzyl) ester
  • (4-tert-butylphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethanoate
  • ZINC05874049
  • T5410568

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable polyketide synthase Pks1 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
Loa Loa (eye worm) 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
Loa Loa (eye worm) hypothetical protein 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
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 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 ulcerans Type I modular polyketide synthase 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 tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 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
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 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 tuberculosis Probable polyketide synthase Pks15 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
Mycobacterium tuberculosis Polyketide synthase Pks12 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme 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 Polyketide synthase Pks13 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus 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 Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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 polyketide synthase 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 Phenolpthiocerol synthesis type-I polyketide synthase PpsE 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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase 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 PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 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 tuberculosis Polyketide synthase Pks2 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 Pks7 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 Probable polyketide synthase Pks9 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
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 PpsC 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis hypothetical protein 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 Type I modular 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 membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) acyl carrier protein 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0025 0.6242
Schistosoma mansoni hypothetical protein 0.0041 0.0035 0.0093
Brugia malayi AMP-binding enzyme family protein 0.0028 0.002 0.0038
Schistosoma mansoni serine/threonine protein kinase 0.0871 0.0989 0.36
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.0023 0.4065
Schistosoma mansoni regulator of G protein signaling 0.0871 0.0988 0.3598
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.0025 0.4278
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0011 0.1101
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0023 0.4065
Giardia lamblia Kinase, CMGC GSK 0.0054 0.0051 0.5
Echinococcus multilocularis Regulator of G protein signaling 20 0.0871 0.0988 0.0979
Loa Loa (eye worm) hypothetical protein 0.0017 0.0007 0.0013
Entamoeba histolytica hypothetical protein 0.0871 0.0988 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0052 0.0153
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.0025 0.6242
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0054 0.0051 0.0171
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.0022 0.5436
Schistosoma mansoni axis inhibition protein axin 0.0871 0.0988 0.3598
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0871 0.0988 0.3612
Plasmodium falciparum glycogen synthase kinase 3 0.0054 0.0051 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0871 0.0988 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.0025 0.481
Trichomonas vaginalis conserved hypothetical protein 0.0871 0.0988 1
Giardia lamblia Kinase, CMGC GSK 0.0054 0.0051 0.5
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0871 0.0988 0.3598
Loa Loa (eye worm) hypothetical protein 0.0051 0.0046 0.0155
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.0023 0.5702
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0054 0.0051 0.0171
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0871 0.0988 0.3598
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0054 0.0051 0.0041
Trypanosoma brucei protein kinase, putative 0.0054 0.0051 0.5
Loa Loa (eye worm) PXA domain-containing protein 0.0871 0.0988 0.3612
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.001 0.0022
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.0025 0.6242
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0052 0.0042
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0002 0.0527
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0871 0.0988 0.0979
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0054 0.0051 0.0149
Echinococcus granulosus axis inhibition protein axin 0.0871 0.0988 0.0979
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0052 0.0042
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.0022 0.5436
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0016 0.4119
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.0025 0.481
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0016 0.172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0052 0.0042
Brugia malayi PXA domain containing protein 0.0871 0.0988 0.3598
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0008 0.1953
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0052 0.0042
Mycobacterium ulcerans thioesterase 0.0025 0.0017 0.2064
Trichomonas vaginalis conserved hypothetical protein 0.0871 0.0988 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0871 0.0989 0.36
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.0025 0.481
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0025 0.481
Entamoeba histolytica hypothetical protein 0.0871 0.0988 1
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.004 1
Schistosoma mansoni regulator of G protein signaling 0.0871 0.0988 0.3598
Brugia malayi regulator of G-protein signaling rgs-7 0.2386 0.2729 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.004 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.001 0.0022
Echinococcus multilocularis regulator of G protein signaling 7 0.0871 0.0988 0.0979
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.005 0.9953
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0871 0.0988 1
Mycobacterium ulcerans polyketide synthase 0.0032 0.0025 0.481
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0016 0.172
Echinococcus multilocularis axis inhibition protein axin 0.0871 0.0988 0.0979
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0052 0.0153
Echinococcus multilocularis axis inhibition protein axin 0.0871 0.0988 0.0979
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0052 0.0175
Loa Loa (eye worm) hypothetical protein 0.0871 0.0988 0.3612
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0013 0.3255
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0035 0.0093
Echinococcus multilocularis protein kinase shaggy 0.0054 0.0051 0.0041
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0054 0.0051 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0057 0.0174
Schistosoma mansoni z-protein (S1r protein) 0.0871 0.0988 0.3598
Brugia malayi PXA domain containing protein 0.0871 0.0988 0.3598
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0057 0.0174
Loa Loa (eye worm) hypothetical protein 0.0871 0.0988 0.3612
Echinococcus granulosus beta-adrenergic receptor kinase 0.0871 0.0989 0.098
Brugia malayi regulator of G-protein signaling egl-10 0.0871 0.0988 0.3598
Echinococcus multilocularis regulator of G protein signaling 3 0.2386 0.2729 0.2722
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0057 0.0196
Schistosoma mansoni regulator of G protein signaling 0.0871 0.0988 0.3598
Echinococcus granulosus regulator of G protein signaling 7 0.0871 0.0988 0.0979
Schistosoma mansoni serine/threonine protein kinase 0.0871 0.0989 0.36
Echinococcus multilocularis beta adrenergic receptor kinase 0.0871 0.0989 0.098
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0013 0.1586
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0023 0.5702
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0017 0.2064
Loa Loa (eye worm) hypothetical protein 0.2386 0.2729 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0016 0.172
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.0023 0.4065
Loa Loa (eye worm) hypothetical protein 0.006 0.0057 0.0196
Brugia malayi Regulator of G protein signaling domain containing protein 0.0871 0.0988 0.3598
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0871 0.0989 0.3614
Loa Loa (eye worm) RGS-3 protein 0.0871 0.0988 0.3612
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.0054 0.016
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0052 0.0153
Loa Loa (eye worm) fatty acid synthase 0.003 0.0022 0.0067
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.002 0.5131
Loa Loa (eye worm) hypothetical protein 0.0041 0.0035 0.0115
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0023 0.4065
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0871 0.0988 0.0979
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0023 0.4065
Echinococcus granulosus axis inhibition protein axin 0.0871 0.0988 0.0979
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.0025 0.481
Onchocerca volvulus 0.0054 0.0051 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0871 0.0988 0.3598
Onchocerca volvulus 0.0052 0.0048 0.9241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0052 0.0153
Brugia malayi hypothetical protein 0.0871 0.0988 0.3598
Echinococcus granulosus regulator of G protein signaling 3 0.2386 0.2729 0.2722
Echinococcus granulosus Regulator of G protein signaling 20 0.0871 0.0988 0.0979
Brugia malayi intracellular kinase 0.0054 0.0051 0.0149
Loa Loa (eye worm) hypothetical protein 0.0871 0.0988 0.3612
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.004 1
Loa Loa (eye worm) hypothetical protein 0.0871 0.0988 0.3612
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0054 0.0051 1
Trichomonas vaginalis conserved hypothetical protein 0.0871 0.0988 1
Echinococcus granulosus regulator of G protein signaling 7 0.0871 0.0988 0.0979
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0054 0.0051 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0871 0.0988 1
Echinococcus granulosus regulator of G protein signaling 3 0.2386 0.2729 0.2722
Brugia malayi A-kinase anchor protein 10, precursor 0.0871 0.0988 0.3598
Schistosoma mansoni regulator of G protein signaling 0.2386 0.2729 1
Schistosoma mansoni regulator of G protein signaling 0.2386 0.2729 1
Echinococcus multilocularis regulator of G protein signaling 0.2386 0.2729 0.2722
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0871 0.0989 0.3614
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.0023 0.0047
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0023 0.4065
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0017 0.4254
Echinococcus multilocularis regulator of G protein signaling 3 0.2386 0.2729 0.2722
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.004 1
Schistosoma mansoni serine/threonine protein kinase 0.0871 0.0989 0.36
Brugia malayi hypothetical protein 0.0871 0.0988 0.3598
Trichomonas vaginalis conserved hypothetical protein 0.0871 0.0988 1
Echinococcus granulosus protein kinase shaggy 0.0054 0.0051 0.0041
Mycobacterium ulcerans polyketide synthase 0.003 0.0023 0.4065
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0023 0.5702
Loa Loa (eye worm) hypothetical protein 0.0871 0.0988 0.3612
Plasmodium vivax glycogen synthase kinase 3, putative 0.0054 0.0051 0.5
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.002 0.006
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0054 0.0051 0.0041
Echinococcus multilocularis regulator of G protein signaling 7 0.0871 0.0988 0.0979
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0017 0.2064
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0871 0.0988 0.3598
Entamoeba histolytica hypothetical protein 0.0871 0.0988 1
Schistosoma mansoni axis inhibition protein axin 0.0871 0.0988 0.3598

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 4.84 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) 5.17 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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.
 
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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