Detailed information for compound 157554

Basic information

Technical information
  • TDR Targets ID: 157554
  • Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5 -(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methox yoxolan-2-yl]-2-oxoethoxy]-N-(2,3-difluorophe nyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-car boxamide
  • MW: 570.454 | Formula: C23H24F2N4O11
  • H donors: 6 H acceptors: 7 LogP: -2.55 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 3
  • SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O)[C@H](C(=O)N)O[C@H]1OC(=C[C@@H]([C@@H]1O)O)C(=O)Nc1cccc(c1F)F
  • InChi: 1S/C23H24F2N4O11/c1-37-16-15(33)21(29-6-5-12(31)28-23(29)36)39-17(16)18(19(26)34)40-22-14(32)10(30)7-11(38-22)20(35)27-9-4-2-3-8(24)13(9)25/h2-7,10,14-18,21-22,30,32-33H,1H3,(H2,26,34)(H,27,35)(H,28,31,36)/t10-,14-,15+,16-,17-,18+,21+,22+/m0/s1
  • InChiKey: MMVHOWGPOVOOQN-FKRFDRBDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-N-(2,3-difluorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-N-(2,3-difluorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-azanyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-N-(2,3-difluorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-N-(2,3-difluorophenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(2,3-difluorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-N-(2,3-difluorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-N-(2,3-difluorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-N-(2,3-difluorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-N-(2,3-difluorophenyl)-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-{(R)-1-Carbamoyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid (2,3-difluoro-phenyl)-amide
  • AIDS-189173
  • AIDS189173

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli phospho-N-acetylmuramoyl-pentapeptide transferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus biogenic amine 5HT receptor 0.0631 0.1401 0.1401
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni neuropeptide F-like receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis somatostatin receptor 0.0024 0.0001 0.0001
Schistosoma mansoni sodium-dependent amino acid transporter 0.074 0.1653 0.1653
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi Serotonin receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.004 0.004
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0024 0.0001 0.0001
Plasmodium falciparum transporter, putative 0.074 0.1653 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0024 0.0001 0.0001
Echinococcus granulosus neuropeptide Y receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis g protein coupled receptor 0.0024 0.0001 0.0001
Toxoplasma gondii hypothetical protein 0.074 0.1653 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 0.2013 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis neuropeptides capa receptor 0.0024 0.0001 0.0001
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0024 0.0001 0.0001
Schistosoma mansoni adenoreceptor 0.0024 0.0001 0.0001
Brugia malayi neuropeptide F receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0024 0.0001 0.0001
Brugia malayi Sodium:neurotransmitter symporter family protein 0.074 0.1653 0.1653
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0024 0.0001 0.0001
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus peptide allatostatin:somatostatin 0.0024 0.0001 0.0001
Brugia malayi follicle stimulating hormone receptor 0.0024 0.0001 0.0001
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.074 0.1653 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.074 0.1653 0.1653
Brugia malayi Melatonin receptor type 1A 0.0024 0.0001 0.0001
Schistosoma mansoni neuropeptide receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.074 0.1653 0.1653
Echinococcus granulosus 7TM GPCR rhodopsin 0.0024 0.0001 0.0001
Echinococcus multilocularis neuropeptide receptor 0.0024 0.0001 0.0001
Echinococcus granulosus sodium and chloride dependent glycine 0.074 0.1653 0.1653
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 0.2013 0.5
Schistosoma mansoni hypothetical protein 0.0024 0.0001 0.0001
Echinococcus multilocularis g-protein coupled receptor 0.0024 0.0001 0.0001
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0034 1
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0048 0.0048
Brugia malayi sulfakinin receptor protein 0.0024 0.0001 0.0001
Brugia malayi Dopamine receptor protein 1 0.0024 0.0001 0.0001
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis serotonin receptor 0.0631 0.1401 0.1401
Echinococcus granulosus neuropeptide receptor 0.0024 0.0001 0.0001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.0001 0.0001
Brugia malayi ORL1-like opioid receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0024 0.0001 0.0001
Brugia malayi Sodium:neurotransmitter symporter family protein 0.074 0.1653 0.1653
Schistosoma mansoni hypothetical protein 0.0024 0.0001 0.0001
Echinococcus multilocularis g protein coupled receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis allatostatin A receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis neuropeptide receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) norepinephrine transporter 0.4361 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0024 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0024 0.0001 0.0001
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.074 0.1653 0.1653
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0033 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Echinococcus granulosus alpha 1A adrenergic receptor 0.0024 0.0001 0.0001
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0038 0.0033 0.0202
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni neuropeptide receptor 0.0024 0.0001 0.0001
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0033 0.0033
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) solute carrier family 6 member 4 0.4361 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0024 0.0001 0.0001
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.074 0.1653 0.1653
Echinococcus multilocularis serotonin receptor 0.0631 0.1401 0.1401
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus neuropeptide receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0024 0.0001 0.0001
Echinococcus multilocularis fmrfamide receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) serotonin transporter b 0.4361 1 1
Loa Loa (eye worm) hypothetical protein 0.074 0.1653 0.1653
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Toxoplasma gondii hypothetical protein 0.074 0.1653 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Echinococcus multilocularis neuropeptides capa receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis serotonin transporter 0.4361 1 1
Echinococcus granulosus g protein coupled receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0024 0.0001 0.0001
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0024 0.0001 0.0001
Echinococcus granulosus orexin receptor type 2 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Treponema pallidum sodium- and chloride- dependent transporter 0.4361 1 1
Plasmodium vivax hypothetical protein, conserved 0.074 0.1653 1
Onchocerca volvulus 0.0038 0.0033 0.0032
Schistosoma mansoni biogenic amine (5HT) receptor 0.0024 0.0001 0.0001
Schistosoma mansoni sodium/chloride dependent transporter 0.4361 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0024 0.0001 0.0001
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0024 0.0001 0.0001
Echinococcus granulosus neuropeptide s receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Onchocerca volvulus 0.074 0.1653 0.1652
Echinococcus granulosus g protein coupled receptor 0.0024 0.0001 0.0001
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0033 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus allatostatin A receptor 0.0024 0.0001 0.0001
Schistosoma mansoni amine GPCR 0.0024 0.0001 0.0001
Echinococcus multilocularis sex peptide receptor 0.0024 0.0001 0.0001
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.074 0.1653 0.1653
Echinococcus multilocularis sodium and chloride dependent glycine 0.074 0.1653 0.1653
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0024 0.0001 0.0001
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.4361 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.074 0.1653 0.1653
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0024 0.0001 0.0001
Schistosoma mansoni neuropeptide receptor 0.0024 0.0001 0.0001
Echinococcus granulosus serotonin receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) TYRA-2 protein 0.0024 0.0001 0.0001
Brugia malayi Serotonin receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.0001 0.0001
Echinococcus granulosus somatostatin receptor 0.0024 0.0001 0.0001
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.074 0.1653 0.1653
Onchocerca volvulus 0.4361 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0024 0.0001 0.0001
Onchocerca volvulus 0.074 0.1653 0.1652
Schistosoma mansoni opsin-like receptor 0.0024 0.0001 0.0001
Echinococcus granulosus neuropeptides capa receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) G-protein coupled receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.0001 0.0001
Echinococcus multilocularis neuropeptide receptor A26 0.0024 0.0001 0.0001
Schistosoma mansoni neuropeptide receptor 0.0024 0.0001 0.0001
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.074 0.1653 0.1653
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0024 0.0001 0.0001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.0001 0.0001
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni alpha-1 adrenergic receptor 0.0024 0.0001 0.0001
Echinococcus granulosus neuropeptide FF receptor 2 0.0024 0.0001 0.0001
Loa Loa (eye worm) neuropeptide F receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis neuropeptide s receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus neuropeptides capa receptor 0.0024 0.0001 0.0001
Brugia malayi G protein-coupled receptor F59B2.13 0.0024 0.0001 0.0001
Schistosoma mansoni biogenic amine receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.4361 1 1
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Onchocerca volvulus 0.074 0.1653 0.1652
Schistosoma mansoni amine GPCR 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0024 0.0001 0.0001
Brugia malayi G-protein coupled receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Plasmodium falciparum amino acid transporter, putative 0.074 0.1653 1
Echinococcus granulosus hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus neuropeptide receptor A26 0.0024 0.0001 0.0001
Brugia malayi G protein-coupled receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 0.2013 1
Schistosoma mansoni amine GPCR 0.0024 0.0001 0.0001
Brugia malayi Dopamine receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus fmrfamide receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi GnHR receptor homolog 0.0024 0.0001 0.0001
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.074 0.1653 0.1653
Schistosoma mansoni opsin-like receptor 0.0024 0.0001 0.0001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.0001 0.0001
Schistosoma mansoni biogenic amine receptor 0.0024 0.0001 0.0001
Schistosoma mansoni sodium/chloride dependent transporter 0.074 0.1653 0.1653
Schistosoma mansoni opsin-like receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.074 0.1653 0.1653
Schistosoma mansoni hypothetical protein 0.0024 0.0001 0.0001
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0024 0.0001 0.0001
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0024 0.0001 0.0001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0033 0.0033
Echinococcus granulosus g-protein coupled receptor 0.0024 0.0001 0.0001
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi Sodium:neurotransmitter symporter family protein 0.074 0.1653 0.1653
Echinococcus granulosus sodium and chloride dependent glycine 0.074 0.1653 0.1653
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Echinococcus granulosus sex peptide receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis dro:myosuppressin receptor 0.0024 0.0001 0.0001
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.074 0.1653 0.1653
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0024 0.0001 0.0001
Schistosoma mansoni amine GPCR 0.0024 0.0001 0.0001
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.4361 1 1
Brugia malayi RE15519p 0.0024 0.0001 0.0001
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.004 0.004 0.004
Echinococcus multilocularis G-protein coupled receptor, putative 0.0024 0.0001 0.0001
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0033 1
Echinococcus granulosus neuropeptide Y receptor 0.0024 0.0001 0.0001
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0024 0.0001 0.0001
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.074 0.1653 0.1653
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.074 0.1653 0.1653
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus multilocularis fmrfamide receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.4361 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0035 0.0027 0.0027
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0038 0.0033 0.0166
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0038 0.0033 0.0033
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0038 0.0033 0.0033
Schistosoma mansoni sodium/chloride dependent transporter 0.074 0.1653 0.1653
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.074 0.1653 0.1653
Schistosoma mansoni neuropeptide f receptor 76f 0.0024 0.0001 0.0001
Echinococcus granulosus tachykinin peptides receptor 99D 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0024 0.0001 0.0001
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi neuropeptide F receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis g protein coupled receptor 0.0024 0.0001 0.0001
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.074 0.1653 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi hypothetical protein 0.074 0.1653 0.1653
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Schistosoma mansoni biogenic amine receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.074 0.1653 0.1653
Brugia malayi Tachykinin-like peptides receptor 99D 0.0024 0.0001 0.0001
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.074 0.1653 0.1653
Echinococcus multilocularis sodium and chloride dependent glycine 0.074 0.1653 0.1653
Echinococcus granulosus tm gpcr rhodopsin 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.074 0.1653 0.1653
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni biogenic amine (5HT) receptor 0.0631 0.1401 0.1401
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni neuropeptide F-like receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.0001 0.0001
Echinococcus granulosus uncharacterized sodium dependent transporter 0.074 0.1653 0.1653
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.004 0.004 0.004
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0024 0.0001 0.0001
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0033 1
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0038 0.0033 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0024 0.0001 0.0001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni myosin xvIII 0.0024 0.0001 0.0001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.074 0.1653 1
Brugia malayi larval opioid receptor 0.0024 0.0001 0.0001
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0034 1
Echinococcus granulosus G protein coupled receptor 139 0.0024 0.0001 0.0001
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0024 0.0001 0.0001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.0001 0.0001
Brugia malayi putative neuropeptide receptor 0.0024 0.0001 0.0001
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.074 0.1653 0.1653
Echinococcus granulosus dro:myosuppressin receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) melatonin receptor type 1A 0.0024 0.0001 0.0001
Echinococcus granulosus tm gpcr rhodopsin 0.0024 0.0001 0.0001
Schistosoma mansoni amine GPCR 0.0024 0.0001 0.0001
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0038 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0631 0.1401 0.1401
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0024 0.0001 0.0001
Loa Loa (eye worm) G-protein coupled receptor 0.0024 0.0001 0.0001
Echinococcus granulosus biogenic amine 5HT receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis G protein coupled receptor 139 0.0024 0.0001 0.0001
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0024 0.0001 0.0001
Echinococcus granulosus tm gpcr rhodopsin 0.0024 0.0001 0.0001
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.074 0.1653 0.1653
Brugia malayi G-protein coupled receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0024 0.0001 0.0001
Echinococcus granulosus uncharacterized sodium dependent transporter 0.074 0.1653 0.1653
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.0001 0.0001
Schistosoma mansoni histamine h1 receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Plasmodium vivax amine transporter, putative 0.074 0.1653 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.074 0.1653 1
Loa Loa (eye worm) neuropeptide F receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.074 0.1653 0.1653
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0631 0.1401 0.1401
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Echinococcus multilocularis orexin receptor type 2 0.0024 0.0001 0.0001
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.074 0.1653 0.1653
Loa Loa (eye worm) hypothetical protein 0.0024 0.0001 0.0001
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 0.2013 1
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0038 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0038 0.0033 0.0033
Echinococcus granulosus serotonin transporter 0.4361 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.004 0.004 0.004
Brugia malayi Dopamine receptor protein 2 0.0024 0.0001 0.0001
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.074 0.1653 0.1653
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0024 0.0001 0.0001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.0001 0.0001
Brugia malayi hypothetical protein 0.0024 0.0001 0.0001
Brugia malayi AKH receptor 0.0024 0.0001 0.0001
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0024 0.0001 0.0001
Echinococcus granulosus g protein coupled receptor 0.0024 0.0001 0.0001

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
IC50 (binding) = 13 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
MIC (functional) = 12.5 ug ml-1 Antimycobacterial activity against Mycobacterium smegmatis (SANK 75075) ChEMBL. 14611838

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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